Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands
Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che; Inorganic Chemistry 50 (2011) 7142–7149; doi:10.1021/ic2007292

data_4325790
_publ_section_title
;
 Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination
 Networks: Multiple Substitutions of the Ancillary Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7142
_journal_page_last               7149
_journal_paper_doi               10.1021/ic2007292
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C70 H60 Co3 N4 O30 S6, 2(C3 H7 N O)'
_chemical_formula_sum            'C76 H74 Co3 N6 O32 S6'
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 ? 
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_data_reduction
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_structure_refinement  'SHELXTL 6.14'
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_diffrn_ambient_temperature      293(2)
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_diffrn_reflns_theta_full        25.00
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_exptl_absorpt_coefficient_mu    0.801
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
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_platon_squeeze_details
;
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_refine_diff_density_max         1.165
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     622
_refine_ls_number_reflns         9706
_refine_ls_number_restraints     202
_refine_ls_restrained_S_all      1.036
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0979P)^2^+1.5033P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2007292_si_002_6.cif
_cod_data_source_block           CoTCPSB-DMF2
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_cod_database_code               4325790