Dichloro-1κ<i>Cl</i>,3κ<i>Cl</i>-bis[μ-methylenebis(diphenylphosphine)]-1:2κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-trigold(I) perchlorate
Zhang, Tian-Le; Qin, Yu; Meng, Xiang-Gao; Acta Crystallographica Section E 61 (2005) m2588–m2589; doi:10.1107/S1600536805036500

data_2207471
_publ_section_title
;Dichloro-1\k<i>Cl</i>,3\k<i>Cl</i>-bis[\m-methylenebis(diphenylphosphine)]-1:2\k^2^<i>P</i>:<i>P</i>';2:3\k^2^<i>P</i>:<i>P</i>'-trigold(I)
 perchlorate
;
_journal_coeditor_code           CF6461
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2588
_journal_page_last               m2589
_journal_paper_doi               10.1107/S1600536805036500
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Au3 Cl2 (C25 H22 P2)2] Cl O4'
_chemical_formula_moiety         'C50 H44 Au3 Cl2 P4 +, Cl O4 -'
_chemical_formula_sum            'C50 H44 Au3 Cl3 O4 P4'
_chemical_formula_weight         1529.98
_chemical_name_systematic
;
Dichloro-1\k<i>Cl</i>,3\k<i>Cl</i>-bis[\m-methylenebis(diphenylphosphine)]-
1:2\k^2^<i>P</i>:<i>P</i>';2:3\k^2^<i>P</i>:<i>P</i>'-trigold(I) perchlorate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                104.648(2)
_cell_angle_beta                 102.068(2)
_cell_angle_gamma                101.456(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8043(10)
_cell_length_b                   15.1538(16)
_cell_length_c                   18.8497(19)
_cell_measurement_reflns_used    4862
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.59
_cell_measurement_theta_min      2.19
_cell_volume                     2554.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13943
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.11
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.919
_exptl_absorpt_correction_T_max  0.262
_exptl_absorpt_correction_T_min  0.050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.176
_refine_diff_density_min         -1.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         9809
_refine_ls_number_restraints     324
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1057P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1568
_refine_ls_wR_factor_ref         0.1763
_reflns_number_gt                7107
_reflns_number_total             9809
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6461.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               2207471
_cod_database_fobs_code          2207471