A centrosymmetric polymorph of bis[μ~2~-bis(diphenylphosphino)methane]di-μ~3~-bromo-di-μ~2~-bromo-tetrasilver(I)
Xue-Hui Liu; Xi Liu; Bing Liu; Fa-Kun Zheng; Guo-Cong Guo; Acta Crystallographica Section E 63 (2007) m1029–m1030; doi:10.1107/S1600536807005909

data_2213058
_publ_section_title
;A centrosymmetric polymorph of
 bis[\m~2~-bis(diphenylphosphino)methane]di-\m~3~-bromo-di-\m~2~-bromo-tetrasilver(I)
;
_journal_coeditor_code           XU2135
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1029
_journal_page_last               m1030
_journal_paper_doi               10.1107/S1600536807005909
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag4 Br4 (C25 H22 P2)2]'
_chemical_formula_moiety         'C50 H44 Ag4 Br4 P4'
_chemical_formula_sum            'C50 H44 Ag4 Br4 P4'
_chemical_formula_weight         1519.85
_chemical_name_systematic
;
bis[\m~2~-bis(diphenylphosphino)methane]di-\m~3~-bromo-di-\m~2~-bromo-
tetrasilver(I)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.272(3)
_cell_length_b                   16.718(2)
_cell_length_c                   17.789(4)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      6.0
_cell_volume                     5136.6(16)
_computing_cell_refinement       'WinAFC Diffractometer Control Software'
_computing_data_collection
'WinAFC Diffractometer Control Software (Rigaku, 2002)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_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 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_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  0.033
_diffrn_reflns_av_sigmaI/netI    0.090
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5018
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.772
_exptl_absorpt_correction_T_max  0.385
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
'(WinAFC Diffractometer Control Software; Rigaku, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.02
_refine_diff_density_min         -1.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4778
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.164
_refine_ls_R_factor_gt           0.066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.08P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.147
_refine_ls_wR_factor_ref         0.196
_reflns_number_gt                2306
_reflns_number_total             4778
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu2135.cif
_cod_data_source_block           I
_cod_original_cell_volume        5136.8(15)
_cod_database_code               2213058
_cod_database_fobs_code          2213058