cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18150/eypbrv
title: Raw data from the project: Drugs and ionic liquids - a safe combination or a threat to the environment?

description: The data were obtained as part of a project funded by the National Science Center in the Miniatura 7 competition, entitled "Drugs and ionic liquids - safe combination or environmental hazard?" with the number 2023/07/X/NZ7/00454.The file contains raw data and metadata related to the ecotoxicological evaluation of popular drugs: ibuprofen and diclofenac, introduced into the living environment of individual organisms together with the ionic liquid 1-butyl-3-methylimidazolium chloride (BMIMCl) and drug-ILs mixtures.Toxicity tests were conducted using the following bioassays:Phytotoxkit - this test evaluated the effect of compounds on germination and root growth inhibition of the following plants: monocotyledonous Sorghum saccharatum and and dicotyledonous: Lepidium sativum and Sinapis alba.Duckweed toxkit - this test evaluated the effect of the tested compounds on growth inhibition of the plant - Spirodela polyrhiza (aquatic plant).DAPHTOXKIT F magna - this test evaluated the effects of the tested compounds on the crustacean Daphnia magna.OSTRACODTOXKIT F - this test evaluated the effect of the tested compounds on the ostracods Heterocypris incongruens.
DOI: 10.5518/807
title: Supporting Data for Fractional Quantum Hall Effect in Monolayer WSe2

description: Source data for the figures in the manuscript "Odd- and even-denominator fractional quantum Hall states in monolayer WSe2"
DOI: 10.15468/dl.4gumpq
title: Occurrence Download

description: A dataset containing 100256 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "TaxonKey is Gallinago gallinago (Linnaeus, 1758)",
 "Year 1901-2024"
 ]
}

 The dataset includes 100256 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033722-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7488/ds/7777
title: Harnessing Cosmic Carbon: Anaerobic Microbial Responses to Fullerenes Under Early Earth Conditions

description: Fullerenes of extra-terrestrial origin may have been accessible as a carbon source for anaerobic microorganisms on the early Earth. Very little is known about how microorganisms respond to and utilise fullerenes and their soluble derivatives, particularly in anoxic environments. We present an investigation into the effects of fullerenes C60 and C70 and their hydroxylated fullerol derivatives on an environmentally relevant anaerobic community and a microbial isolate. Anaerobic microorganisms were cultured in microcosms with suspensions of fullerenes with and without supplementary carbon under different levels of light exposure. Relevant early Earth environmental conditions were simulated by irradiating fullerene suspensions with 254nm UV light for two weeks in the absence of oxygen and the accessibility of the photodegradation products was assessed. We find that the anaerobic community is capable of utilising C60 as a sole carbon source, but that C70 is inhibitory. Additionally, we find that both C60 and C70 fullerol are inhibitory to the anaerobes in this study, which is contradictory to previous studies conducted under aerobic conditions. The anaerobic isolate was unable to grow on C60 alone, but after UV exposure, the C60 photodegradation products served as a highly accessible carbon source. Thus, we present a report on the utilisation of photodegraded C60 as the sole carbon source by an anaerobic microorganism under anoxic conditions. Further data shows that fullerenes and their derivatives can both enhance and inhibit the growth of anaerobic microorganisms, which has important implications for their interactions with early life on Earth and their impact on anoxic environments as pollutants in the present day.
DOI: 10.15468/dl.e76weh
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "GadmGid is one of (CHN.2_1, CHN.2.1_1, CHN.2.1.1_1)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Halcyon pileata (Boddaert, 1783)",
 "Year 2020-2024"
 ]
}

 The dataset includes 72 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033727-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60686/t-fsd3684
title: FSD3684 Sign Language Barometer 2020
DOI: 10.15468/dl.np2wzz
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Ethiopia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Boswellia neglecta S.Moore",
 "Year 1830-2024"
 ]
}

 The dataset includes 25 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033728-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t8r4xa
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Ethiopia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Boswellia neglecta S.Moore",
 "Year 1830-2024"
 ]
}

 The dataset includes 25 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033730-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18150/k0bpgy
title: Composite anti-corrosive coating

description: This data set presents anti-corrosive as well structure properties of the obtained composite coating based on nickel sulfate and organosilicon compounds. The coating was deposited on the surfaces of aluminium and 316L stainless steel samples.The data files contain results of the coating characterization:energy-dispersive X-ray spectroscopy (EDS) results;X-Ray photoelectron spectroscopy (XPS) results;electrochemical impedance spectroscopy (EIS) results;potentiodynamic polarization (PP) results.
DOI: 10.15468/dl.3h5tya
title: Occurrence Download

description: A dataset containing 337915 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "TaxonKey is Gyps fulvus (Hablizl, 1783)",
 "Year 1901-2024"
 ]
}

 The dataset includes 337915 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033725-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7wywd7
title: Occurrence Download

description: A dataset containing 1583 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "TaxonKey is Boops boops (Linnaeus, 1758)",
 "Year 1901-2024"
 ]
}

 The dataset includes 1583 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033731-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hbeaqh
title: Occurrence Download

description: A dataset containing 1078292 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "TaxonKey is Passer domesticus (Linnaeus, 1758)",
 "Year 1901-2024"
 ]
}

 The dataset includes 1078292 records from 61 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033726-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/9016987
title: Credit Risk Dataset
DOI: 10.15468/dl.rvzb88
title: Occurrence Download

description: A dataset listing the 3 species recorded in GBIF matching the query:
{
 "and" : [
 "Country is Ethiopia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Boswellia neglecta S.Moore",
 "Year 1830-2024"
 ]
}

 The dataset's 3 records were derived from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033729-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/9016991
title: Glaucoma Detection Dataset
DOI: 10.34740/kaggle/dsv/9016992
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.34740/kaggle/dsv/9016983
title: Dog-Cat-QA
DOI: 10.34740/kaggle/dsv/9017010
title: Credit Risk Dataset
DOI: 10.6084/m9.figshare.26356087
title: Supplementary Material for: Association of Age, Frailty and Strategy for Initiation of Renal Replacement Therapy: a post-hoc analysis of the STARRT-AKI trial.

description: Aim: To assess the association of age and frailty with clinical outcomes in patients with severe AKI, according to accelerated and standard renal-replacement therapy (RRT) initiation strategies in the STARRT-AKI trial.
Methods: This was a secondary analysis of an international randomized trial. Older age was defined as ≥65 years. Frailty was assessed using the clinical frailty scale (CFS) score and defined as a score ≥5. The primary outcome was all-cause mortality at 90 days. Secondary outcomes included RRT dependence and RRT-free days at 90 days. We used logistic and linear regression and interaction testing to explore the impact of age and frailty on clinical outcomes.
Results: Of 2927 patients randomized in the STARRT-AKI trial, 1616 (55.2%) were aged ≥ 65 years (median [IQR] 73.9 [69.4 - 78.9]). Older patients had greater comorbid cardiovascular and chronic kidney disease, were more likely to be surgical admissions and to receive vasopressors at baseline. Older patients had higher 90-day mortality (50.4% vs. 35.6%, adjusted-OR, 1.81 [1.53 to 2.13], p&lt;0.001). There was no significant difference in RRT dependence at 90 days between older and younger patients (8.7% vs. 7.8%, adjusted-OR, 1.21 [0.82 to 1.79], p=0.325). Patients with frailty had higher mortality; but no difference in RRT dependence at 90-days. There was no significant interaction between age and CFS score in relation to mortality, RRT dependence at 90 days, and other secondary outcomes. There was no significant difference in the proportion of patients who received RRT in the standard-strategy stratified by age groups (adjusted-OR, 0.85 [0.67 to 1.08], p=0.180).
Conclusion: In this secondary analysis of the STARRT-AKI trial, older and frail patients had higher mortality at 90 days; however, there was no difference in RRT dependence. Mortality and RRT dependence were not modified by RRT initiation strategy in older or frail patients.
DOI: 10.6084/m9.figshare.26356087.v1
title: Supplementary Material for: Association of Age, Frailty and Strategy for Initiation of Renal Replacement Therapy: a post-hoc analysis of the STARRT-AKI trial.

description: Aim: To assess the association of age and frailty with clinical outcomes in patients with severe AKI, according to accelerated and standard renal-replacement therapy (RRT) initiation strategies in the STARRT-AKI trial.
Methods: This was a secondary analysis of an international randomized trial. Older age was defined as ≥65 years. Frailty was assessed using the clinical frailty scale (CFS) score and defined as a score ≥5. The primary outcome was all-cause mortality at 90 days. Secondary outcomes included RRT dependence and RRT-free days at 90 days. We used logistic and linear regression and interaction testing to explore the impact of age and frailty on clinical outcomes.
Results: Of 2927 patients randomized in the STARRT-AKI trial, 1616 (55.2%) were aged ≥ 65 years (median [IQR] 73.9 [69.4 - 78.9]). Older patients had greater comorbid cardiovascular and chronic kidney disease, were more likely to be surgical admissions and to receive vasopressors at baseline. Older patients had higher 90-day mortality (50.4% vs. 35.6%, adjusted-OR, 1.81 [1.53 to 2.13], p&lt;0.001). There was no significant difference in RRT dependence at 90 days between older and younger patients (8.7% vs. 7.8%, adjusted-OR, 1.21 [0.82 to 1.79], p=0.325). Patients with frailty had higher mortality; but no difference in RRT dependence at 90-days. There was no significant interaction between age and CFS score in relation to mortality, RRT dependence at 90 days, and other secondary outcomes. There was no significant difference in the proportion of patients who received RRT in the standard-strategy stratified by age groups (adjusted-OR, 0.85 [0.67 to 1.08], p=0.180).
Conclusion: In this secondary analysis of the STARRT-AKI trial, older and frail patients had higher mortality at 90 days; however, there was no difference in RRT dependence. Mortality and RRT dependence were not modified by RRT initiation strategy in older or frail patients.
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0000636
title: Fourier transform infrared spectroscopy (FTIR) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for Fourier transform infrared spectroscopy (FTIR)
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m.1
title: C42H34ClCuN2O4P2Se
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1, and canonical SMILES descriptor[cheminf_000007]: c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[Cu+], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-39253

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction)
 
 CHMO:0000636 | Fourier transform infrared spectroscopy (FTIR)
 
 CHMO:0000889 | proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zvvvmnpcoqcmko-uhfffaoysa-m/chmo0000889
title: proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR) ()
title: InChI=1S/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1

description: dataset for proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l.1
title: C78H60Cl2Cu2N2O10P4Se
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2, and canonical SMILES descriptor[cheminf_000007]: c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Cu+].[Cu+], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-39366

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000636 | Fourier transform infrared spectroscopy (FTIR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000889 | proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mgdyvpdvfvurbp-uhfffaoysa-l/chmo0000636
title: Fourier transform infrared spectroscopy (FTIR) ()
title: InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;2*2-1(3,4)5;;/h2*1-28H;1-4H;2*(H,2,3,4,5);;/q;;;;;2*+1/p-2

description: dataset for Fourier transform infrared spectroscopy (FTIR)