bluuebunny/crossref_metadata_2025 huggingface dataset:
A faster plant stem‐water extraction method
Authors: Vendramini Patricia F. , Sternberg Leonel da S. L.
Published: December 2006

Oxygen and hydrogen isotope ratios of stem water have been used by several studies which relate the ecophysiology of plants to their water source. Undoubtedly, there are several other applications and research areas which could use this type of analysis. However, the most often used methods of extracting stem water are slow, limiting the rate of sampling and consequently preventing a deeper understanding of spatial and temporal plant water source use. We have developed a faster batch method of stem‐water extraction and compare it with the most commonly used online method of stem‐water extraction. Samples are sealed in 18 cm long ampoules having their extremities placed sample end in a heating block and the condensing end in a cooling block, and allowed to distill overnight. Up to 72 samples can be distilled overnight and sealed the next morning. The isotope ratios of water distilled by the batch method introduced here compared with those from the online method were in excellent agreement. In addition to being faster, this method does not need the monitoring of hot water baths and liquid nitrogen traps during distillation and does not require a complex vacuum system. Copyright © 2006 John Wiley & Sons, Ltd.
Stress and family relationship functioning as indicators of the severity of fibromyalgia symptoms: a regression analysis
Authors: Murray Thomas L. , Murray Christine E. , Daniels M. Harry
Published: December 2006

This article presents the results of a secondary analysis of data collected from a cross‐sectional survey of 201 individuals with fibromyalgia syndrome (FMS). This study examines the influence of stress and family relationship functioning (differentiation of self) on symptoms severity among FMS patients. The primary analysis of the data (published elsewhere) revealed that perceived levels of stress were correlated with symptom severity, and that other variables related to family functioning moderated this relationship to a small degree. In the secondary analysis presented here, additional relationships among perceived stress, stressful life events, family relationship functioning, age of FMS onset, and symptom severity were examined. The results indicated that participants' levels of symptom severity could be predicted by their level of differentiation and appraisal of stressful life events occurring within a year prior to the age of onset. Consistent with the findings of the primary analyses, the level of perceived stress was the predictor variable that accounted for the greatest amount of variance associated with FMS symptoms. Limitations of the study and recommendations for future research are presented. Copyright © 2006 John Wiley & Sons, Ltd.
The wonder of trivial machines
Authors: Gage Stephen A.
Published: December 2006

Architecture is differentiated from building in that it is deemed to induce sensations of delight or wonder in its observers. The paper takes the metaphor of a trivial machine and argues that a work of architecture is the physical embodiment this. The process of constructing such a machine for the first time is not trivial and can induce sensations of delight in an observer. This applies both to the observer who designs the machine (the architect) and to the observer who passes by and who reconstructs it in his or her understanding. Can trivial machines be constructed which have some of the attributes of non‐trivial machines in that the output is continually surprising and new? When a trivial machine is nested inside another machine whose function is not fully known the result is an inverted, non‐trivial machine in Von Foerster's terms. The paper argues that physical architecture can be observed in this way. Copyright © 2006 John Wiley & Sons, Ltd.
Standing ovation: an attempt to simulate human personalities
Authors: Szilagyi Miklos N. , Jallo Matthew D.
Published: December 2006

Computer simulation of human personalities is presented using standing ovation as an example of human social behaviour. Five personality components are used to influence behaviour. The experiment has proven the efficacy of basing a nonlinear dynamic system simulation on precepts derived from personality traits. Copyright © 2006 John Wiley & Sons, Ltd.
Narratives and transdisciplines for a post‐industrial world
Authors: Allen T. F. H. , Giampietro Mario
Published: December 2006

As society moves to a post‐industrial posture, technology rescales human activities into new contexts. A changed context makes meaning different. In that new setting, complexity appears because problems arise scaled outside prevailing disciplines. Without the conventions of established disciplines definitions are lost, and that causes complexity to arise in the equivocation that follows. Rosen suggests that complexity cannot be modelled, precisely because of uncertainty and contradiction, which can be defined away, but only at the loss of complexity. Paradigms work to facilitate modelling with narratives told to make complexity simple enough to model. Complexity disappears into mere complicatedness upon deciding what is significant as opposed to incidental, structural as opposed to dynamical, discontinuous versus continuous and rate‐independent rather than rate‐dependent. With those decisions in hand, one can create and test models to improve the meaning of narratives. Meaning is found in the plan embodied in the Aristotelian formal cause (e.g. DNA) and in the significance of whole structure in the final cause. Aristotle's material cause, the existence of the substance of the whole, is constructed by the interaction of the plan of the formal cause with the Aristotelian efficient cause of the driving gradient (e.g. food, energy). The narrative of the biological or social system moves forward each time an updated material cause forces change on the meaning of the final cause. Narratives can address complexity because they are not about objective reality, but are statements of what is significant. Narratives facilitate commensurate experience as humans construct a post‐industrial society, invoking post‐normal science and post‐modern postures. Transdisciplines face complexity until they self‐consciously develop a new story of their own. The complexity arising from technological rescaling and redefinition of our world can be addressed with sophisticated use of narrative, a central device in systems science. This paper presents a protocol for employing narrative with precision. Copyright © 2006 John Wiley & Sons, Ltd.
Construction of knowledge in the mass media. Systemic problems in the post‐modern power‐struggle between the symbolic generalized media in the Agora: the Lomborg case of environmental science and politics
Authors: Brier Søren
Published: December 2006

The present article analyses the Lomborg case of environmental conflicts in the Agora of the mass media by viewing science, politics, economics, religion and the big news media as differentiated systems using what Luhmann calls symbolic generalized media. Each has its own simplified code and interest that make it easier and faster to canalize messages. But the problem for the public good then becomes that they cannot communicate directly with each other. Each system is closed around its own code and specialists. There are no rules of engagement for the benefit of the greater system of society. Is that a good thing or could the public knowledge generation processes be improved? This article analyses the Lomborg case viewed as a problem of public knowledge management in democratic societies with free presses. Copyright © 2006 John Wiley & Sons, Ltd.
Transdisciplinary unified theory
Authors: François Charles
Published: December 2006

Numerous complex issues of the most varied kinds are emerging in our ever more interconnected man–planet settings. Such situations cannot be anymore managed by the piecemeal and uncoordinated interventions that result from growing chasms between multiple specialized disciplines. Accordingly, interdisciplinarity and multidisciplinarity should be framed or, in cases, replaced by transdisciplinarity. Transdisciplinarity in turn supposes the existence of a specific language of concepts and models. It should be understandable and usable by any specialist in need to collaborate with a variety of colleagues of other fields. Such a language has emerged since 1950 as Cybernetics and Systemics (or so‐called systems sciences or sciences of complexity). It is still becoming richer and better connected internally as it steadily acquires new conceptual tools adequated to the study of dynamic, simultaneous, multiple and interdependent interactions in complex issues. Copyright © 2006 John Wiley & Sons, Ltd.
Systemic reflections on our past, present and future
Authors: Gregory Amanda
Published: December 2006

This paper is about our ability to control the organizations that we have either created or inherited. The discussion draws on work by Luhmann, on time and social autopoiesis, and Zadek, on creating civil corporations. It is proposed that the ability to demonstrate resistance differentiates the autopoietic model from earlier systems models and that this ability is mediated through the system's capacity for intelligence based on its distinction and learning from other systems in its environment. Such a view introduces the opportunity for organizations to shift away from rationalism, involving structural barriers and limitations, to a more integrated form of being in the Future. Copyright © 2006 John Wiley & Sons, Ltd.
Creative holism: a critical systems approach to complex problem situations
Authors: Jackson Michael C.
Published: December 2006

The 49th Annual Meeting of the International Society for the Systems Sciences had, as its theme, ‘the potential impacts of systemics on society’. As my contribution to this, I want to discuss why I think a critical systems approach called ‘creative holism’ can help managers address complex problem situations. As is frequently stated, managers today face increasing complexity, change and diversity. Furthermore, the solutions they are offered to help them cope in this situation rarely seem to work. In this paper, it is argued that those solutions fail because they are not holistic or creative enough. The benefits to be gained from holism and creativity (in a systemic sense) are outlined, and a practical approach, ‘creative holism’, is specified which aims to better equip managers to deal with complex problem situations. If the argument is right then systemics has the potential to have both a significant and a beneficial impact upon society in the years to come. Copyright © 2006 John Wiley & Sons, Ltd.
System dynamics and the evolution of the systems movement
Authors: Schwaninger Markus
Published: December 2006

The purpose of this contribution is to give an overview of the role of System Dynamics (SD) in the context of the evolution of the systems movement. This is necessary because SD is often erroneously taken as the systems approach as such, not as part of it. It is also requisite to show that the processes of the evolution of both SD in particular and the Systems Movement as a whole are intimately linked and intertwined. Finally, in view of the purpose of the paper the actual and potential relationships between SD and the other strands of the systems movement are worked out. This way, complementarities and synergies are identified. Copyright © 2006 John Wiley & Sons, Ltd.
Systemic methodologies in regional sustainable development
Authors: Fuentes Honorato C. Teissier
Published: December 2006

Synthesized from a PhD thesis written at the Université du Québec à Chicoutimi, Canada, this article explains how systemic methodologies are implemented and applied to help the south‐eastern region of Coahuila state, Mexico; focusing on problems of a real sustainable development process and long‐term system comprehension under an evolutionary perception. Copyright © 2006 John Wiley & Sons, Ltd.
An essay on Kenneth E. Boulding's General Systems Theory: the skeleton of science
Authors: Wilby Jennifer
Published: December 2006

The purpose of this paper is to discuss the hierarchy of system complexity that Kenneth E. Boulding proposed in the article General Systems Thinking—The Skeleton of Science, originally published in Management Science, 2, (1956, pp. 197–208) and to explore the implications of the Skeleton for systems theory and practice as it currently stands. The nine‐level Skeleton of Science is presented and discussed with reference to four perceived underlying frameworks within the Skeleton. The implications of the Skeleton and suggested future directions for further research are also presented. Copyright © 2006 John Wiley & Sons, Ltd.
Exploring public–private partnerships through knowledge cybernetics
Authors: Yolles Maurice , Iles Paul
Published: December 2006

Knowledge cybernetics operates as a social geometry and incorporates joint alliance theory. Using its schema, an exploration is made of how in a globalizing economy governments may seek to enhance their social infrastructural provision by coupling private corporations into public services and producing public–private partnerships. This paper will explore and explain the systemic needs of such partnerships, their ontological and epistemological pathologies, and their ethical and ideological contradictions. Despite the unlikelihood of partnerships functioning effectively to the benefit of social provision, the persistence of the use of private provision in the delivery of social goods may have an ideological explanation. Copyright © 2006 John Wiley & Sons, Ltd.
Concentration of some elements in the Adriatic coastal sea sediments. Case study: the Kvarner Bay
Authors: Valković V. , Obhod̄aš J. , Črnjar M.
Published: December 2006

The analyses of 15 chemical elements in 70 surface sediment samples along the coast of the Kvarner Bay and its islands were carried out on the grain fractions < 2 mm by using the energy‐dispersive x‐ray fluorescence (EDXRF) analysis. The range of the measured elemental concentrations in mg/kg were: K (1121–14 240), Ca (7200–261 600), Ti (81–4178), Cr (6–169), Mn (17–534), Fe (310–34 800), Ni (6–212), Cu (5–12 640), Zn (12–11 860), As (1.1–524.4), Br (14–373), Rb (2–151), Sr (112–1815), Y (8–80) and Pb (3–1430). The sediment concentrations of the biocidal elements Cu, Zn, As and Pb, usual components of available commercial antifouling paints, were found to be several orders of magnitude greater than the background values in sediments close to the marina or shipyard service areas. Contour maps of concentrations in the surface sediment layer for these four elements were produced, indicating the level and range of sediment contamination from the pollution sources. Factor analysis (FA) applied to the Kvarner Bay dataset has confirmed that among the measured elements, Cu, Zn, As and Pb contribute to the anthropogenic factor and the others to the two natural background factors.

In order to investigate the negative environmental influence of marinas, shipyards and ports in more detail, the distributions of the element concentrations in the core and surface sediment samples were studied on a small geographical scale with the example of the Punat Bay and its shipyard, determined as contaminated zones in the Kvarner Bay. It was proved that the anthropogenic loads of the elements Cu, Zn and Pb from the local marina and the shipyard are the main sources of the bay pollution. Protection and remediation measures for the Croatian marinas, shipyards and small harbors could be proposed on the basis of these results. Copyright © 2006 John Wiley & Sons, Ltd.
Sb2Hg3GaBr4: A New Supramolecular Framework Structure with [Sb2Hg4/2]±0 Building Blocks Isosteric to Distibane
Authors: Schlirf J. , Deiseroth H. J.
Published: December 2006

Sb2Hg3GaBr4 is a new air stable transparent reddish solid that crystallizes in space group Pnma (No. 62, Z = 8) with the lattice constants a = 1375.49(8) pm, b = 1269.0(1) pm, c = 1478.19(9) pm. The title compound represents a new structure type based on a cationic framework $^{3}_{\infty}\rm [Sb_{2}Hg_{3}]^{+}$ of a significantly modified Millons base type. Structural building blocks of the cationic partial structure are well known tetrahedral [SbHg4/2]+ groups and unprecedented formally neutral [Sb2Hg4/2]±0 units in a 2:1 ratio. The [Sb2Hg4/2]±0 units contain covalent Sb‐Sb bonds (d = 285.6 pm) and are isosteric with Distibane Sb2H4 in a staggered conformation. Structural consequences of the lone pairs located at the Sb atoms of the [Sb2Hg4/2]±0 units are discussed. The charge of the cationic framework is balanced by disordered anions in suitable cavities. They appear as tetrahedral [GaBr4]− but correspond most likely to a superposition of bitetrahedral apex sharing [Ga2Br7]− and isolated Br−.
Synthesis and Structural Characterization of two Novel Copper(I) Complexes with Oxygen Donor
Authors: Cao Qian‐Yong , Gan Xin , Fu Wen‐Fu
Published: December 2006

Two novel copper(I) complexes with Cu‐O bonds, [Cu2L2(PPh3)2](BF4)2 (1) and [Cu(L)(dppeo)](BF4) (2) (L = 6‐(4‐diethylmethylphosphonatephenyl)‐2,2′‐bipyridine, dppeo = bis(diphenylphosphino)ethane monoxide), have been prepared and their structures characterized. In the binuclear complex 1, the ligand L serves as tridentate donor with the N, N′ and O as coordination atoms, and the two CuI atoms are bridged through both P = O donor atoms in different ligand L with a triphenylphosphine molecule as auxiliary ligand. While in mononuclear complex 2, both ligands L and dppeo behave as bidentate with N∧N from L and P∧O from dppeo chelating to CuI atom.
Ein zweikerniger Zinkkomplex mit einem Dithioacetal‐Brückenliganden
Authors: He Guosen , Vahrenkamp Heinrich
Published: December 2006

A Dinuclear Zinc Complex with a Bridging Dithioacetal Ligand

The pyrazolyl‐bis(thioimidazolyl)borate ligand L1 of the complex [L1Zn‐OClO3] is partly decomposed upon attempts to replace the perchlorate ion by p‐nitrophenolate in a solution containing dichloromethane. As a result, two equivalents of the released mercaptoimidazole react with dichloromethane to form a dithioacetal. This in turn is bound via its two nitrogen donors to two L1˙Zn units forming the title complex, which was identified by a structure determination.
Hydrothermal Synthesis and Crystal Structure of Novel Alkali Trimolybdates
Authors: Michailovski Alexej , Patzke Greta R.
Published: December 2006

Novel alkali trimolybdates of the triclinic (M, M′)2Mo3O10 (M = Rb; M′ = K, Cs) type were obtained through a systematic hydrothermal approach based on the reaction of MoO3 with alkali halide solutions at 180 °C. The crystal structures were determined from X‐ray single crystal data. The alkali trimolybdates extend the family of known alkali trimolybdates in an unexpected fashion, because they contain a distorted variation of [Mo3O10]2− chains as a key structural motif that has only been found in a single compound before, namely ethylenediammonium trimolybdate, (C2H10N2)[Mo3O10]. The applied hydrothermal strategy is discussed in the general context of systematic pathways to polyoxomolybdates. Furthermore, the templating role of the alkali cations and their interaction with the polyoxomolybdate surroundings is compared to (C2H10N2)[Mo3O10] in terms of electrostatic calculations.
The Crystal Structure of Trimethyl Borate by Neutron and X‐ray Powder Diffraction
Authors: Hartl M. A. , Williams D. J. , Acatrinei A. I. , Stowe A. , Daemen Luke L.
Published: December 2006

The crystal structure of one of the simplest organoboron compounds, trimethyl borate does not appear to have been determined hitherto. The compound is of interest for the study of π‐donor ligands and their interaction with the π‐acceptor behavior of trigonal boron and the consequences of such interactions on molecular structure. We used powder neutron (with isotopically labeled material) and X‐ray diffraction to determine the crystal structure of trimethyl borate at 15 K and 200 K (neutron) and 200 K (X‐ray). The material is hexagonal (Z = 2) with a = b = 6.950(8) Å and c = 6.501(3) Å at 15 K. The unit cell volume is 272.00(1) Å3. The space group is P63/m (SG 176) at 15 K and 200 K. This is the first crystal structure solved on the Neutron Powder Diffractometer (NPDF) at the Lujan Center.
On the Complexes of Bis(trifluoromethyl)ditellurium, Te2(CF3)2, with Halide Ions – A Crystallographic Study of the Pseudo‐trihalides [PNP][(TeCF3)2X] (PNP = Bis(triphenylphosphoranyliden)ammonium; X = Cl, Br, I)
Authors: Fischer Hendrik T. M. , Naumann Dieter , Tyrra Wieland
Published: December 2006

The anions [(TeCF3)2X]− (X = Cl, Br, I) resemble the trihalides [I2X]− in the solid state and show similar dynamic behaviour in solution. All three compounds crystallize iso‐structurally in the triclinic space group ${\rm P}{\bar 1}$ with Z = 2 and exhibit cell dimensions according to the sizes of the halogen atoms.
Synthesis and Crystal Structure of a Dinuclear Titanium(IV) Complex containing an Allopyranosidato Ligand
Authors: Küntzer Daniela , Tschersich Sebastian , Heck Jürgen
Published: December 2006

The reaction of methyl‐4,6‐O‐benzylidene‐α‐D‐allopyranoside (α‐MeBAH2) with trichlorocyclopentadienyltitanium [CpTiCl3] and triethylamine in dichloromethane led to the dinuclear complex [(CpTiCl2)2‐μ‐(α‐MeAG)] (1). 1 was characterized by elemental analysis, 1H NMR spectroscopy as well as single crystal X‐ray diffraction.
Modern Aspects of Pseudohalogen Chemistry: News from CN‐ and PN‐Chemistry
Authors: Brand Harald , Schulz Axel , Villinger Alexander
Published: December 2006

The pseudohalogen concept still provides a powerful tool to understand the correlation between chemical properties, structure and bonding of pseudohalogen species. Starting from a modern version of the pseudohalogen concept, this research report gives an overview on different subjects of CN‐ and PN‐chemistry dealt with in our group. One of our fundamental interests lies in the synthesis and study of structure and bonding of resonance stabilized pseudohalides such as methanides, amides or binary PN‐pseudohalides. The first chapter describes new syntheses of alkaline dinitroso‐ and nitro(nitroso)cyanomethanides, methanide‐based ionic liquids and their chemical properties. The second chapter deals with azaphospholes which can be considered (i) as resonance stabilized dimers of P‐analogues of covalent azides in case of the triazadiphospholes or (ii) as [3+2] cycloaddition product of a hidden PNN 1,3 dipole (P‐analogue of a covalent azide) with dipolarophiles possessing NN or PN moieties. Starting from a [3+2] synthetic tool kit, new PN‐heterocycles (triazadiphospholes and tetrazaphospholes) and a new synthetic approach called GaCl3‐assisted [3+2] cycloaddition are discussed.
Modellbetrachtungen zum Verständnis unerwarteter Eigenschaften der metalloiden Clusterverbindung [Ga84(N(SiMe3)2)20][Li6Br2(THF)20]·2Toluol
Authors: Hartig Jens , Schnepf Andreas , de Jongh L. Jos , Bono David , Schnöckel Hansgeorg
Published: December 2006

Towards the Understanding of the Unexpected Properties of the Metalloid Cluster Compound [Ga84(N(SiMe3)2)20][Li6Br2(THF)20]·2Toluol

In several short communications we have recently reported on the electrical and superconducting properties of the crystalline title compound 1 which contains anionic Ga84R20‐moieties.

Here we present a collection of these results, complemented and interpreted by using DFT‐calculations on model clusters (Ga84(NH2)20−). These calculations allow

a) a first insight into the dynamics of the Ga84‐moieties (e.g. a rotation of the central Ga2‐dumbbell) and thus an explanation of the temperature‐dependent Ga‐NMR‐spectra described recently, and

b) estimations on the lattice energy of 1 and its resulting unexpected energetic stabilization compared to metallic gallium. A possible contribution of the cations in the electrical conduction mechanism of 1 can also be made feasible with model calculations.

The basis for all the results presented is to be found in the “perfect” arrangement of nanoscopic Ga84‐clusters in the crystal. This theoretically predicted condition for superconductivity in a “chain” of identical metal cluster molecules is a requirement which can hardly be realized by means of physical fabrication methods. Therefore, on the one hand the results presented here make for some disillusionment in the field of nanoscience, but on the other hand, especially in the field of synthetic chemistry, they present rewarding challenges for fundamental work in the future.
Zwei metallreiche Phosphide – Die Kristallstrukturen von Mg8Ir23P8 und Mg13Pt26P10
Authors: Löhken Anke , Imre Anette , Mewis Albrecht
Published: December 2006

Two Metal‐rich Phosphides – The Crystal Structures of Mg8Ir23P8 and Mg13Pt26P10

Mg8Ir23P8 (a = 8.586(4), b = 16.998(7), c = 3.959(2) Å) and Mg13Pt26P10 (a = 8.834(2), b = 21.154(4), c = 4.074(1) Å) crystallize in new structure types (Pbam, Z = 1), which were determined by single crystal methods. In the Ir compound four of seven crystallographically different Ir atoms build up cuboctahedra centered by other Ir atoms. The cuboctahedra are connected with each other via common faces to strands along [001] and they are linked with Ir5 square pyramids centered by P atoms to a three‐dimensional network, in which some of the Ir atoms are part of both polyhedra. The Mg atoms are situated in the holes of the network coordinated by 14 nearest neighbours. The structure of Mg13Pt26P10 is quite similar and contains cuboctahedra too, but they are formed by both kinds of metal atoms building two different polyhedra. The first type is centered by Pt atoms, whereas the centers of the other one are occupied by Mg atoms and P2 dumb‐bells with a statistical distribution. The cuboctahedra are linked with each other via common faces along [001] and edges along [100] and they are connected with Pt5 square pyramids centered by P atoms in a similar fashion like in Mg8Ir23P8.
A Sterically Hindered Phosphonic Acid with a Hydrogen‐Bonded Cage Structure: [4‐tert‐Bu‐2,6‐Mes2‐C6H2P(O)(OH)2·H2O]4
Authors: Nolde Christof , Schürmann Markus , Mehring Michael
Published: December 2006

The synthesis and molecular structure of the novel phosphonic acid 4‐tert‐Bu‐2,6‐Mes2‐C6H2P(O)(OH)2 (1) is reported. Compound 1 crystallizes in form of its monohydrate as a hydrogen‐bonded cluster (1·H2O)4 comprizing four phosphonic acid molecules (O···O 2.383(3)‐3.006(4) Å). Additionally, sterically hindered terphenyl‐substituted phosphorus compounds of the type 4‐tert‐Bu‐2,6‐Mes2‐C6H2PR(O)(OH) (5, R = H; 7, R = O2CC6H4‐3‐Cl; 9, R = OEt) were prepared, which all show dimeric hydrogen‐bonded structures with O···O distances in the range 2.489(2)–2.519(3) Å. Attempts at oxidizing 5 using H2O2, KMnO4, O3, or Me3NO in order to give 1 failed. Crystallization of 5 in the presence of Me3NO gave the novel hydrogen bonded aggregate 4‐tert‐Bu‐2,6‐Mes2‐C6H2PH(O)(OH)·ONMe3 (6) showing an O–H···O distance of 2.560(4) Å.
Synthesis and Crystal Structure of In(OH)(SeO3)
Authors: Paterson Brian , Harrison William T. A.
Published: December 2006

In(OH)(SeO3), prepared by a hydrothermal reaction, crystallizes in a new structure type containing cis InO4(OH)2 octahedra. These groups share both corners (via OH) and edges (via O) to result in a layered motif containing octahedral 8‐ring holes that resembles a single layer of the hollandite structure. The selenium atoms [as pyramidal (SeO3)2− selenite groups] decorate the 8‐ring holes and crosslink the sheets, leading to a three‐dimensional structure. Crystal data: In(OH)(SeO3), Mr = 258.79, triclinic, ${\rm P}{\bar 1}$ (No. 2), a = 5.6523 (2) Å, b = 7.9598 (3) Å, c = 8.0911 (3) Å, α = 87.925 (2)°, β = 79.679 (2)°, γ = 83.201 (3)°, V = 355.58 (2) Å3, Z = 4, R (F) = 0.023, wR (F2) = 0.054.
Synthesis, Structure, and Properties of the High‐Pressure Modification of CePdSn – a 5 K Antiferromagnet
Authors: Heymann Gunter , Riecken Jan F. , Rayaprol Sudhindra , Christian Sandra , Pöttgen Rainer , Huppertz Hubert
Published: December 2006

The high‐pressure (HP) modification of CePdSn was synthesized under multianvil high‐pressure (10.5 GPa) high‐temperature (1100 °C) conditions from the normal‐pressure (NP) modification. The structures of both modifications were studied by X‐ray powder and single crystal diffraction: TiNiSi type, Pnma, a = 754.1(2), b = 470.6(1), c = 798.4(3) pm, wR2 = 0.0333, 945 F2 values, 20 variables for NP‐CePdSn and ZrNiAl type, $P{\bar 6}{\rm 2}m$, a = 760.03(5), c = 416.06(3) pm, wR2 = 0.0443, 248 F2 values, 13 variables for HP‐CePdSn. The structural chemistry of both modifications is goverened by platinum centered trigonal prisms. The platinum and tin atoms in NP‐CePdSn and HP‐CePdSn build up a three‐dimensional [PdSn] network in which the cerium atoms fill channels. Susceptibility measurements on HP‐CePdSn reveal an experimental magnetic moment of 2.55(1) μB/Ce atom in the paramagnetic region. At 5 K a paramagnetic‐to‐antiferromagnetic transition is evident from magnetization and specific heat measurements.
Studien zur Reaktion von [Me2AlP(SiMe3)2]2 mit basenstabilisierten Organogalliumchloriden und ‐hydriden
Authors: Matar Madhat , Schulz Stephan , Flörke Ulrich
Published: December 2006

Investigations on the Reactivity of [Me2AlP(SiMe3)2]2 with Base‐stabilized Organogalliumhalides and ‐hydrides

[Me2AlP(SiMe3)2]2 (1) reacts with dmap−Ga(Cl)Me2, dmap−Ga(Me)Cl2, dmap−GaCl3 and dmap−Ga(H)Me2 with Al‐P bond cleavage and subsequent formation of heterocyclic [Me2GaP(SiMe3)2]2 (2) as well as dmap−AlMexCl3−x (x = 3 8; 2 3; 1 4; 0 5). The reaction between equimolar amounts of dmap−Al(Me2)P(SiMe3)2 and dmap−Ga(t‐Bu2)Cl yield dmap−Ga(t‐Bu2)P(SiMe3)2 (6) and dmap−AlMe2Cl (3). 2–8 were characterized by NMR spectroscopy, 2 and 6 also by single crystal X‐ray diffraction.
An Ortho‐silicate‐hydroxide: Rb5[SiO4][OH]
Authors: Kerp Oliver , Möller Angela
Published: December 2006

Rb5[SiO4][OH] crystallizes in the monoclinc space group C2/m with a = 737.3(1) pm, b = 1073.7(2) pm, c = 1207.2(2) pm, β = 106.07(2)° and Z = 4 (single crystal data; R1= 0.0681 all data). Layers of edge‐connected distorted trigonal prismatic [(OH)Rb6] entities and isolated tetrahedral [SiO4] units present the main structural features of this unprecedented structure type.
First Observation of an Inverse Ruddlesden‐Popper Series: (A3n+1ONn−1)Bin+1 with A = Sr, Ba and n = 1, 3
Authors: Gäbler Frank , Prots Yurii , Niewa Rainer
Published: December 2006

Single crystals ((Ba0.78(1)Sr0.22)4O)Bi2 and ((Ba0.62(1)Sr0.38)10N2O)Bi4 were successfully prepared from melt beads of Ba, Sr, and Bi in nitrogen atmosphere with oxygen impurities. The phases can be prepared in single phase from the appropriate mixtures of alkaline‐earth metal, bismuth, and bismuth oxide upon heating in pure nitrogen atmosphere. ((Ba0.78(1)Sr0.22)4O)Bi2 crystallizes in the K2NiF4 structure type (space group I4/mmm, No. 139, a = 522.34(5) pm, c = 1844.0(2) pm, Z = 2, Rgt(F) = 0.039) with layers of vertex‐sharing octahedra ((Ba,Sr)4/2Ba2O). ((Ba0.62(1)Sr0.38)10N2O)Bi4 crystallizes as an isotype of Sr4Ti3O10 (space group I4/mmm, No. 139, a = 531.3(1) pm, c = 3983.2(4) pm, Z = 2, Rgt(F) = 0.050) containing slabs of three layers of vertex‐sharing octahedra further connected via corners. These compounds are interpreted in terms of members of an inverse Ruddlesden‐Popper series with the general formula n (A3ONn−1)Bi · ABi or (A3n+1ONn−1)Bin+1, respectively, with n = 1, 3. Partial order of the alkaline‐earth metal ions is analyzed.
Zum chemischen Transport und zur Kristallstruktur von Seltenerdmetallantimonaten(V) – SESbO4
Authors: Gerlach Sylvia , Cardoso‐Gil Raul , Milke Edgar , Schmidt Marcus
Published: December 2006

Chemical Vapour Transport and Crystal Structure of Rare‐Earth Antimonates(V) – RESbO4

Single crystals of the compounds RESbO4 (RE = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Lu) were obtained by endothermic chemical transport with TeCl4 as transport agent. The composition of the gas phase has been studied using mass spectrometry. The crystal structures were solved and refined from single crystal X‐ray diffraction data. Praseodym antimonate crystallizes depending on temperature in two modifications: β‐PrSbO4 (space group P21/n (no. 14), Pearson symbol mP24, a = 531.23(2) pm, b = 508.68(2) pm, c = 1281.56(5) pm, β = 92.001(6)°)) and α‐PrSbO4 (space group P21/c (no. 14), Pearson symbol mP24, a = 766.35(3) pm, b = 551.96(3) pm, c = 767.27(3) pm, β = 100.931(3)°). NdSbO4, SmSbO4 und EuSbO4 are isostructural to α‐PrSbO4.
(C5H14N2)[Zn3(HPO4)4], a New 3D Open‐framework Zincophosphate Synthesized by Hydrothermal Reversible Transformation of (C5H14N2)[Zn2(HPO4)3]·H2O
Authors: Wiebcke Michael
Published: December 2006

In the system ZnO/H3PO4/H2O/1,4‐diazacycloheptane (C5H12N2), a new zincophosphate (ZnPO), (C5H14N2)[Zn3(HPO4)4] (I), was prepared by hydrothermal transformation (180 °C) of the known ZnPO hydrate (C5H14N2)[Zn2(HPO4)3]·H2O (II). The thermally‐induced transformation is reversible; upon keeping the heterogeneous mixture of I and mother liquor at 80 °C recrystallization of II was observed. Single‐crystal X‐ray crystallography revealed that I possesses a unique three‐dimensional (3D) open‐framework structure built from corner‐linked ZnO4 and HPO4 tetrahedra. The (3,4)‐connected framework of I differs considerably from the 3D open‐framework ZnPO structure of II. Crystal data for I: Monoclinic system, space group Cc (No. 9) , Z = 4, a = 9.1389(6), b = 23.627(2), c = 9.3073(6) Å, β = 109.463(7)°, T = 298 K.
The Sialons MLn[Si4−xAlxOxN7−x] with M = Eu, Sr, Ba and Ln = Ho‐Yb – Twelve Substitution Variants with the MYb[Si4N7] Structure Type
Authors: Lieb Alexandra , Kechele Juliane A. , Kraut Robert , Schnick Wolfgang
Published: December 2006

The oxonitridoalumosilicates (so‐called sialons) MLn[Si4−xAlxOxN7−x] with M = Eu, Sr, Ba and Ln =Ho, Er, Tm, Yb were obtained by the reaction of the respective lanthanoid metal, the alkaline earth carbonates or europium carbonate, resp., AlN, “Si(NH)2” and MCl2 as a flux in a radiofrequency furnace at temperatures around 2100 °C. The compounds MLn[Si4−xAlxOxN7−x] are relevant for the investigation of substitutional effects on the materials properties due to their ability of tolerating a comparatively large phase width up to x ≈ 2.0(5).

The crystal structures of the twelve compounds were refined from X‐ray single crystal data and X‐ray powder data and are found to be isotypic to the MYb[Si4N7] structure type. The compounds crystallize in space group P63mc (no. 186, hexagonal) and are made up of chains of so‐called starlike units [N[4](SiN3)4] or [N[4]((Si,Al)(O,N)3)4], respectively. These units are formed by four (Si,Al)(N/O)4 tetrahedra sharing a common central nitrogen atom. The structure refinement was performed utilizing an O/N‐distribution model according to Paulings rules, i.e. nitrogen was positioned on the four‐fold bridging site and nitrogen and oxygen were distributed equally on both of the two‐fold bridging sites, resulting in charge neutrality of the compound. The Si and Al atoms were distributed equally on their two crystallographic sites, referring to their elemental proportion in the compound, due to being poorly distinguishable by X‐ray methods. The chemical compositions of the compounds were derived from electron probe micro analyses (EPMA).
Chloro‐N′,N′‐dimethylformamidinium‐(dimethylcyanamid)trichloroberyllat, [Me2NC(Cl)NH2]+[BeCl3(NCNMe2)]−
Authors: Neumüller Bernhard , Dehnicke Kurt
Published: December 2006

Chloro‐N′,N′‐dimethylformamidinium‐(dimethylcyanamide)trichloroberyllate, [Me2NC(Cl)NH2]+[BeCl3(NCNMe2)]−

Chloro‐N′,N′‐dimethylformamidinium‐(dimethylcyanamide)trichloroberyllate, [Me2NC(Cl)NH2]+[BeCl3(NCNMe2)]− was prepared from BeCl2 with two equivalents of dimethylcyanamide in CH2Cl2 suspension. The compound was characterized by X‐ray crystallography and by IR spectroscopy. Space group ${\rm P}{\bar 1}$, Z = 2, lattice dimensions at 193 K: a = 620.7(1), b = 744.9(2), c = 1520.3(3) pm, α = 96.87(2)°, β = 100.41(2)°, γ = 100.17(2)°, R1 = 0.0443. Cations and anions form N–H…Cl hydrogen bridges along [010].
Novel Trinuclear MnII/MnII/MnII Complexes – Crystal Structures and Catalytic Properties
Authors: Kloskowski Michael , Pursche Daniel , Hoffmann Rolf‐Dieter , Pöttgen Rainer , Läge Mechtild , Hammerschmidt Adrienne , Glaser Thorsten , Krebs Bernt
Published: December 2006

The trinuclear manganese(II) complexes [Mn3(L1)2(μ‐OAc)4]·2Et2O {HL1 = (1‐hydroxy‐4‐nitrobenzyl)((2‐pyridyl)methyl)((1‐methylimidazol‐2‐yl)methyl)amine} (1·2EtOH), [Mn3(L2)2(μ‐OAc)4] {HL2 = ((1‐methylimidazol‐2‐yl)methyl)(1‐hydroxybenzyl)amine} (2) and [Mn3(L3)2(μ‐OAc)6] {L3 = bis(1‐methylimidazol‐2‐yl)methanone} (3) were synthesized. The compounds were characterized by X‐ray crystallography, mass spectrometry, IR, UV‐vis spectroscopy, and elemental analysis. The manganese atoms in 1 and 2 are bridged by phenol moieties of the ligands and acetates. In 3 they are only bridged by acetates in a mono‐ and bi‐dentate way. The resulting Mn···Mn distances are 3.233(1) Å (1), 3.364(1) Å (2) and 3.643(7) Å (3). In the present compounds different limiting cases for the phenomenon of the carboxylate shift are realized. Besides symmetric mono‐ and bi‐dentate bridging an unusual intermediate is also observed. 1·2EtOH is the first example of a trinuclear model for the OEC that shows catalase activity. Furthermore it was characterized by temperature dependent magnetic susceptibility measurements and a total spin ground state of St = 5/2 was found. The results for 1 reveals antiferromagnetic coupling between the central and the terminal manganese ions, with J = −1.2 cm−1, g = 2.00 (fixed), χTIP = 150×10−6 cm3mol−1.
Cobalt Centered Trigonal RE6 Prisms and Mg4 Clusters as Basic Structural Units in RE4CoMg (RE = Y, La, Pr, Nd, Sm, Gd–Tm)
Authors: Tuncel Selcan , Hoffmann Rolf‐Dieter , Chevalier Bernard , Matar Samir F. , Pöttgen Rainer
Published: December 2006

The new rare earth metal rich intermetallic compounds RE4CoMg (RE = Y, La, Pr, Nd, Sm, Gd–Tm) were prepared via melting of the elements in sealed tantalum tubes in a water‐cooled sample chamber of a high‐frequency furnace. The compounds were investigated by X‐ray diffraction of powders and single crystals: Gd4RhIn type, $F{\bar 4}{\rm 3}m$, a = 1428.38(9) pm, wR2 = 0.0638, 680 F2 values, 20 variables for La4CoMg, a = 1399.5(2) pm, wR2 = 0.0584, 589 F2 values, 20 variables for Pr4CoMg, a = 1390.2(3) pm, wR2 = 0.0513, 634 F2 values, 20 variables for Nd3.90CoMg1.10, a = 1381.0(3) pm, wR2 = 0.0730, 618 F2 values, 22 variables for Sm3.92Co0.93Mg1.08, a = 1373.1(4) pm, wR2 = 0.0586, 611 F2 values, 20 variables for Gd3.92CoMg1.08, a = 1362.1(3) pm, wR2 = 0.0576, 590 F2 values, 20 variables for Tb3.77CoMg1.23, a = 1344.8(2) pm, wR2 = 0.0683, 511 F2 values, 20 variables for Dy3.27CoMg1.73, and a = 1343.3(2) pm, wR2 = 0.0560, 542 F2 values, 20 variables for Er3.72CoMg1.28. The cobalt atoms have trigonal prismatic rare earth coordination. Condensation of the CoRE6 prisms leads to a three‐dimensional network which leaves larger voids that are filled by regular Mg4 tetrahedra at a Mg–Mg distance of 316 pm in La4CoMg. The magnesium atoms have twelve nearest neighbors (3 Mg + 9 RE) in icosahedral coordination. In the structures with Nd, Sm, Gd, Tb, Dy, and Er, the RE1 positions which are not involved in the trigonal prismatic network reveal some RE1/Mg mixing and the Sm3.92Co0.93Mg1.08 structure shows small cobalt defects. Considering La4CoMg as representative of all studied systems an analysis of the chemical bonding within density functional theory closely reproduces the crystal chemistry scheme and shows the role played by the valence states of the different constituents in the electronic band structure. Strong bonding interactions were observed between the lanthanum and cobalt atoms within the trigonal prismatic network.
Characterization of Two Zincophosphates (UH‐6 and UH‐10) Synthesized using the Cobalt(III) Sarcophagine Complex as Structure‐directing Agent
Authors: Klingelhöfer Stefan , Wiebcke Michael , Behrens Peter
Published: December 2006

The novel zincophosphates UH‐6 (sum formula |[Co(diAMHsar)]| [Zn2(HPO4)3(PO4)] · H2O) and UH‐10 (sum formula |([Co(diAMHsar)])2| [{Zn2(HPO4)3(PO4)}2] · H2O) were synthesized in hydrothermal syntheses employing the chiral sarcophagine complex [Co(diAMHsar)]5+ as the structure‐directing agent. The inorganic part of UH‐6 consists of pearl‐like chains of alternating [ZnO4] and [PO4] tetrahedra, which are connected to the incorporated cobalt complex via numerous hydrogen bonds. UH‐10 was synthesized under similar conditions, but at higher reaction temperatures. In consequence, the crystal structures of UH‐6 and UH‐10 are closely related, although systematic disorder in UH‐10 and the lower symmetry result in a unit cell twice as large as the corresponding unit cell of UH‐6. Interestingly, in both zincophosphates only one enantiomer of the cobalt complex is present, despite the fact that a racemic mixture of the complex salt is used for synthesis. Thermogravimetric analysis and powder X‐ray diffraction of a thermally treated sample of UH‐6 reveals a phase transformation at ca. 300 °C.
Er3O2F5: Ein Erbiumoxidfluorid mit Vernier‐Struktur
Authors: Müller‐Bunz Helge , Janka Oliver , Schleid Thomas
Published: December 2006

Er3O2F5: An Erbium Oxide Fluoride with Vernier‐Type Structure

Attempts to synthesize multinary erbium‐trifluoride derivatives (e. g. Er3F[Si3O10], Er4F2[Si2O7][SiO4], CsEr2F7, and RbEr3F10) from mixtures of ErOF‐contaminated erbium trifluoride (ErF3) itself and appropriate other components (such as Er2O3 and SiO2 or CsF and RbF, respectively) frequently resulted in the formation of pale pink, transparent, lath‐shaped single crystals of Er3O2F5 (orthorhombic, Pnma; a = 562.48(5), b = 1710.16(14), c = 537.43(4) pm; Z = 4) as by‐product, typically after seven days at 800 °C and regardless of the applied reaction‐container material (evacuated torch‐sealed silica or silica‐jacketed arc‐welded tantalum capsules). Its crystal structure, often described as a vernier‐type arrangement consisting of two interpenetrating and almost misfitting lattices (ErOF and ErF3), contains two crystallographically different Er3+ cations in the eight‐ and seven‐plus‐one‐fold anionic coordination of bicapped trigonal prisms. Whereas (Er1)3+ carries four O2−
and F− anions each, (Er2)3+ resides in the neighbourhood of only two O2−, but five plus one F− anions. As the main structural feature, however, one can consider O2−‐centred (Er3+)4 tetrahedra which share common edges to form linear double strands of the composition $^{1}_{\infty}\rm \{[O_{2}Er_{3}]^{5+}\}(d(O^{2-}-Er^{3+}) = 220-234 pm, CN = 4)$. Running parallel to the [100] direction and assembling like a hexagonal closest rod‐packing, their electroneutralization and three‐dimensional interconnection is achieved by three crystallographically independent F− anions (d(F−−Er3+) = 221 − 251 plus 281 pm) in three‐ and two‐plus‐two‐fold coordination of the Er3+ cations, respectively.
Bis(2,4,6‐trimethylphenyl)tellurium(IV) Dicyanide: the First Crystal Structure for a Tellurium Cyanide of the Type R2Te(CN)2
Authors: Klapötke Thomas M. , Krumm Burkhard , Scherr Matthias , Schwab Ingo
Published: December 2006

The reaction of Mes2TeF2 (Mes = 2,4,6‐trimethylphenyl) with trimethylsilyl cyanide yields the corresponding tellurium(IV) dicyanide Mes2Te(CN)2. Isolation of suitable crystals allows the determination of the first crystal structure of a compound of the type R2Te(CN)2.
Elektrochemische Synthese von Ag5Pb2O6
Authors: Oberndorfer C. P. M. , Jansen M.
Published: December 2006

Electrochemical Synthesis of Ag5Pb2O6

Ag5Pb2O6 was prepared by anodic oxidation of silver in a PbO2 suspension in an aqueous KOH solution. Phase purity was checked by a Rietveld‐fit of the X‐ray powder pattern, thermal and chemical analysis. The compound exhibits ionic conductivity. It' anisotropy leads to an orientation of the crystallites on the silver anode.
Extracellular matrix turnover and disease severity in Anderson–Fabry disease
Authors: Shah J. S. , Hughes D. A. , Tayebjee M. H. , MacFadyen R. J. , Mehta A. B. , Elliott P. M.
Published: December 2006

Background: Anderson–Fabry Disease (AFD) is an inherited metabolic disease associated with premature death secondary to cardiovascular and renal disease. Patients with AFD develop progressive left ventricular (LV) remodelling and heart failure. We hypothesized that altered extracellular matrix (ECM) turnover contributes to the pathophysiology of cardiac disease in AFD. Methods and Results: Twenty‐nine consecutive patients (44.1 ± 11.7 years, 15 male) with AFD and 21 normal controls (39.7 ± 11.3 years, 10 male) had serum analysed for matrix metalloproteinase‐9 (MMP‐9), and tissue inhibitor of matrix metalloproteinase‐1 and ‐2 (TIMP‐1, TIMP‐2). All patients underwent clinical assessment, echocardiography and Mainz Severity Score Index (MSSI) measurement, a validated severity score in AFD. MMP‐9 levels were significantly higher in patients than controls (1003.8 ± 337.8 ng/ml vs 576.7 ± 276.3 ng/ml respectively, p < 0.001). There were no differences in TIMP levels between patients and controls. There was a positive correlation between MMP‐9 levels and MSSI (r = 0.5, p = 0.01). There was a negative correlation between MMP‐9 and endocardial fractional shortening (FS) (r = −0.5, p = 0.01) and mid‐wall FS (r = −0.6, p = 0.001). There was no correlation between other echocardiographic parameters and MMP‐9 levels. These relations were independent of age and sex using stepwise linear regression analysis. Conclusions: Patients with AFD have abnormal ECM turnover compared to normal controls. The correlation between MMP‐9 levels and systolic function suggests that altered ECM turnover is important in cardiac remodelling. The association between MMP‐9 and overall disease severity suggests that circulating levels of MMP‐9 may provide a useful marker for assessing the response of patients with AFD to enzyme replacement treatment.
The natural history of Niemann–Pick disease type C in the UK
Authors: Imrie J. , Dasgupta S. , Besley G. T. N. , Harris C. , Heptinstall L. , Knight S. , Vanier M. T. , Fensom A. H. , Ward C. , Jacklin E. , Whitehouse C. , Wraith J. E.
Published: December 2006

Niemann–Pick disease type C (NPC) is an autosomal recessive, neurovisceral lipid storage disorder. Mutations in two genes (NPC1 and NPC2) produce indistinguishable clinical phenotypes by biochemical mechanisms that have not yet been entirely clarified. The wide spectrum of clinical presentations of NPC includes hepatic and pulmonary disease as well as a range of neuropsychiatric disorders. Late‐onset disease has been increasingly recognized as the biochemical diagnosis of NPC has been more widely applied in adult neurology clinics. The clinical presentation and follow‐up of 94 patients with NPC is described, 58 of whom were still alive at the time this report was prepared. The age at diagnosis ranged from the prenatal period (with hydrops fetalis) up to 51 years. This review of NPC patients in the UK confirms the phenotypic variability of this inherited lipid storage disorder reported elsewhere. Although a non‐neuronopathic variant has been described, most patients in this series who survived childhood inevitably suffered neurological and in some cases neuropsychiatric deterioration. While symptomatic treatment, such as anticholinergic and antiepileptic drugs, can alleviate some aspects of the disease, there is a clear need to develop a specific treatment for this progressively debilitating neurodegenerative disorder.