Gold complexes of 3,4-bis(diphenylphosphinoamino)toluene and 1,2-bis(diphenylphosphinoamino)benzene. A comparative study †
Bella, Pedro A.; Crespo, Olga; Fernández, Eduardo J.; Fischer, Axel K.; Jones, Peter G.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Journal of the Chemical Society, Dalton Transactions  (1999) 4009–; doi:10.1039/a905857e

data_7027715
_publ_section_title
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 Gold complexes of 3,4-bis(diphenylphosphinoamino)toluene and
 1,2-bis(diphenylphosphinoamino)benzene. A comparative
 study&#x200A;&#x2020;
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4009
_journal_paper_doi               10.1039/a905857e
_journal_year                    1999
_chemical_formula_sum            'C96 H68 Au3 F30 N2 O2 P3'
_chemical_formula_weight         2535.33
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                62.925(10)
_cell_formula_units_Z            2
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_cell_length_c                   23.393(3)
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_cell_measurement_theta_min      1.5
_cell_volume                     4546.1(10)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.905
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    4.994
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   'multiple scans (Siemens SADABS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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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^)+(0.0214P)^2^+3.4779P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                14562
_reflns_number_total             20440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            905857esup1.cif
_cod_data_source_block           tejas
_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 (21
time).

'_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 (35 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4546.2(9)
_cod_database_code               7027715