Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.
Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14726–14736; doi:10.1039/c4dt01467g

data_7031846
_publ_section_title
;
 Synthesis, structure, and catecholase activity of bispyrazolylacetate
 copper(ii) complexes.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14726
_journal_page_last               14736
_journal_paper_doi               10.1039/c4dt01467g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C84 H130 Cu N12 O4, 6(C H4 O)'
_chemical_formula_sum            'C90 H154 Cu N12 O10'
_chemical_formula_weight         1627.79
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_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
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_diffrn_ambient_temperature      100.0(2)
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_diffrn_reflns_theta_full        25
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0856P)^2^+2.3708P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1652
_refine_ls_wR_factor_ref         0.2225
_reflns_number_gt                4319
_reflns_number_total             9795
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_cod_data_source_file            c4dt01467g2.cif
_cod_data_source_block           CutBupy(2)i13390
_cod_depositor_comments
;Adding full bibliography for 7031842--7031846.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        4781.5(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7031846