Slight synthetic changes eliciting different topologies: synthesis, structure and magnetic properties of novel dinuclear and nonanuclear dysprosium complexes.
Kuo, Che-Jung; Holmberg, Rebecca J.; Lin, Po-Heng; Dalton transactions (Cambridge, England : 2003) 44 (2015) 19758–19762; doi:10.1039/c5dt02899j

data_1540031
_publ_section_title
;
 Slight synthetic changes eliciting different topologies: synthesis,
 structure and magnetic properties of novel dinuclear and nonanuclear
 dysprosium complexes.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19758
_journal_page_last               19762
_journal_paper_doi               10.1039/c5dt02899j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C80 H92 Dy9 N24 O46'
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_chemical_name_systematic
; 
 ? 
;
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2015-10-14 deposited with the CCDC.
2015-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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CrysAlisPro, Agilent Technologies, 
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET) 
(compiled Jan 14 2014,18:38:05) 
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_computing_data_collection
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CrysAlisPro, Agilent Technologies, 
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET) 
(compiled Jan 14 2014,18:38:05) 
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies, 
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET) 
(compiled Jan 14 2014,18:38:05) 
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_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2008)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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CrysAlisPro, Agilent Technologies, 
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET) 
(compiled Jan 14 2014,18:38:05) 
Empirical absorption correction using spherical harmonics, 
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_exptl_crystal_colour            clearlightyellow
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6808
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
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_platon_squeeze_details
;
SQUEEZE/PLATON was used in structural refinement 
in X-ray experimental. The cosolvent molecules
 (One THF, one DMF and one H2O)
was not included in the cif file
;
_refine_diff_density_max         4.878
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_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1511
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_reflns_number_gt                11700
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02899j2.cif
_cod_data_source_block           j4024
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1540030--1540031.cif.
;
_cod_original_cell_volume        17916.6(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1540031
_platon_squeeze_void_probe_radius 1.20