Tris[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-chloro-trisilver(I) hexafluoroantimonate dichloromethane disolvate
Wu, Mei-Mei; Qin, Yong-Hai; Acta Crystallographica Section E 60 (2004) m1185–m1186; doi:10.1107/S1600536804018112

data_2204048
_publ_section_title
;Tris[\m-bis(diphenylphosphino)methane-\k^2^<i>P</i>:<i>P</i>']di-\m~3~-chloro-trisilver(I)
 hexafluoroantimonate dichloromethane disolvate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1185
_journal_page_last               m1186
_journal_paper_doi               10.1107/S1600536804018112
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag3 Cl2 (C25 H22 P2)3] [Sb F6], 2C H2 Cl2'
_chemical_formula_moiety         'C75 H66 Ag3 Cl2 P6 +, F6 Sb -, 2C H2 Cl2'
_chemical_formula_sum            'C77 H70 Ag3 Cl6 F6 P6 Sb'
_chemical_formula_weight         1953.21
_chemical_name_common            'Sb Ag3 Cl6 P6 F6 C77 H70'
_chemical_name_systematic
;
Tris[\m-bis(diphenylphosphino)methane-\k^2^P:P']di-\m~3~-chloro-trisilver(I)
hexafluoroantimonate dichloromethane disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.3030(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0613(4)
_cell_length_b                   18.1719(5)
_cell_length_c                   28.3500(7)
_cell_measurement_reflns_used    6217
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.60
_cell_measurement_theta_min      1.33
_cell_volume                     8238.9(4)
_computing_cell_refinement       'SMART and SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'XPREP (Siemens, 1994)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Siemens, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \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  0.0570
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            28476
_diffrn_reflns_theta_full        25.60
_diffrn_reflns_theta_max         25.60
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.392
_exptl_absorpt_correction_T_max  0.641
_exptl_absorpt_correction_T_min  0.438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3880
_exptl_crystal_size_max          .60
_exptl_crystal_size_mid          .50
_exptl_crystal_size_min          .32
_refine_diff_density_max         1.539
_refine_diff_density_min         -1.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.218
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     892
_refine_ls_number_reflns         14352
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0720
_refine_ls_shift/su_max          0.094
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0294P)^2^+55.193P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1706
_reflns_number_gt                10131
_reflns_number_total             14352
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6228.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2204048
_cod_database_fobs_code          2204048