Dicyanometallates as Model Extended Frameworks.
Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.; Journal of the American Chemical Society 138 (2016) 5886–5896; doi:10.1021/jacs.5b13446

data_4125035
_publ_section_title
;
 Dicyanometallates as Model Extended Frameworks.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5886
_journal_page_last               5896
_journal_paper_doi               10.1021/jacs.5b13446
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C14 H12 Au5 Cu2 N10 O2, C36 H30 N P2'
_chemical_formula_sum            'C50 H42 Au5 Cu2 N11 O2 P2'
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_chemical_name_systematic
;
bis(triphenylphosphoranylidene)ammonium copper dicyanoaurate ethanolate
;
_space_group_IT_number           15
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_cell_length_a                   27.9505(6)
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'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
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_diffrn_radiation_monochromator  Synchrotron
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_diffrn_reflns_number            44694
_diffrn_reflns_theta_full        25.163
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_diffrn_source                   Synchrotron
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_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
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_refine_ls_number_reflns         9917
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_refine_ls_shift/su_max          0.0034242
_refine_ls_shift/su_mean         0.0001357
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.04P)^2^ +*****P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
;
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_reflns_threshold_expression     I>2.0\s(I)
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_oxford_refine_ls_r_factor_ref   0.0460
_oxford_refine_ls_scale          0.5495(5)
_oxford_reflns_number_all        9917
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 052jah15-
_cod_data_source_file            ja5b13446_si_001.cif
_cod_data_source_block           3a
_cod_depositor_comments
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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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4125033--4125042.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4125035