Synthesis, structure and catalytic activity of a gold(i) complex containing 1,2-bis(diphenylphosphino)benzene monoxide.
Hahn, Christine; Cruz, Leticia; Villalobos, Amanda; Garza, Liliana; Adeosun, Samuel; Dalton transactions (Cambridge, England : 2003) 43 (2014) 16300–16309; doi:10.1039/c4dt02116a

data_7032118
_publ_section_title
;
 Synthesis, structure and catalytic activity of a gold(i) complex
 containing 1,2-bis(diphenylphosphino)benzene monoxide.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16300
_journal_page_last               16309
_journal_paper_doi               10.1039/c4dt02116a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C30 H24 Au Cl O P2'
_chemical_formula_sum            'C30 H24 Au Cl O P2'
_chemical_formula_weight         694.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_cell_angle_gamma                90.00
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_cell_length_c                   9.8878(16)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.16
_cell_volume                     2613.5(7)
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_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT+ ver. 6.2 (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    5.876
_exptl_absorpt_correction_T_max  0.4660
_exptl_absorpt_correction_T_min  0.2381
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5702
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_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+7.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0808
_reflns_number_gt                4053
_reflns_number_total             5702
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c4dt02116a1.cif
_cod_data_source_block           llc07b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7032118.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        2613.4(7)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7032118