A Novel Type of Alkynylgold(I) Complex. Crystal and Molecular Structures of PPN[Au(Ar)(C⋮CH)] [Ar = C6F5, C6H2(NO2)3-2,4,6]
Vicente, José; Chicote, María-Teresa; Abrisqueta, María-Dolores; Jones, Peter G.; Organometallics 19 (2000) 2629–; doi:10.1021/om9910322

data_4077724
_publ_section_title
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 A Novel Type of Alkynylgold(I) Complex. Crystal and Molecular Structures
 of PPN[Au(Ar)(C&#x22EE;CH)] [Ar = C6F5, C6H2(NO2)3-2,4,6]
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_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2629
_journal_paper_doi               10.1021/om9910322
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C47 H37 Au F5 N O P2'
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_chemical_name_systematic
;
 ?
;
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_cell_angle_beta                 92.738(8)
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_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens R3'
_diffrn_measurement_method       \w-scans
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_diffrn_radiation_source         'fine-focus sealed tube'
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'w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.0561
_reflns_number_observed          5066
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_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om9910322.cif
_cod_data_source_block           meter
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (14
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (20 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4077724