Low-Dimensional Hybrid Copper Halides with Novel D6R Cu6I6 Cores
Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Shouhua Feng; Inorganic Chemistry 43 (2004) 6884–6886; doi:10.1021/ic049164x

data_4311906
_publ_contact_author
;
      Feng,Shouhua
      College of Chemistry
      Jilin University
      Changchun, 130012
      P. R. China
;
_publ_section_title
;
 Low-Dimensional Hybrid Copper Halides with Novel D6R Cu6I6 Cores
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6884
_journal_page_last               6886
_journal_paper_doi               10.1021/ic049164x
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C10 H8 Cu3 I3 N2'
_chemical_formula_sum            'C10 H8 Cu3 I3 N2'
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_chemical_name_systematic
; 
 ? 
;
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_ambient_temperature      293(2)
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            Red
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       Rod
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_number_parameters     163
_refine_ls_number_reflns         3098
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2463
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_cod_data_source_file            ic049164xsi20040902_095703_2.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/adriana/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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        6259(2)
_cod_database_code               4311906