Bis[μ-methylenebis(diphenylphosphine)]bis[(5-nitro-1,10-phenanthroline)silver(I)] bis(hexafluoridoantimonate)
Gangqiang Yin; Acta Crystallographica Section E 64 (2008) m264–m264; doi:10.1107/S1600536807067013

data_2217068
_publ_section_title
;Bis[\m-methylenebis(diphenylphosphine)]bis[(5-nitro-1,10-phenanthroline)silver(I)]
 bis(hexafluoridoantimonate)
;
_journal_coeditor_code           GK2121
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m264
_journal_page_last               m264
_journal_paper_doi               10.1107/S1600536807067013
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Ag2 (C12 H7 N3 O2)2 (C25 H22 P2)2] (Sb F6)2'
_chemical_formula_moiety         'C74 H58 Ag2 N6 O4 P4 2+, 2(F6 Sb -)'
_chemical_formula_sum            'C74 H58 Ag2 F12 N6 O4 P4 Sb2'
_chemical_formula_weight         1906.38
_chemical_name_systematic
;
Bis[\m-methylenebis(diphenylphosphine)]bis[(5-nitro-1,10-
phenanthroline)silver(I)] bis(hexafluoridoantimonate)
;
_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                 117.936(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8034(7)
_cell_length_b                   23.3993(10)
_cell_length_c                   13.5580(11)
_cell_measurement_reflns_used    7865
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      3.00
_cell_volume                     3588.5(4)
_computing_cell_refinement       'CrystalClear (Rigaku, 2000)'
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        'CrystalClear (Rigaku, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  'SHELXTL (Bruker, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury 70 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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22441
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.458
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.3500
_exptl_crystal_size_mid          0.3500
_exptl_crystal_size_min          0.2800
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.703
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         6301
_refine_ls_number_restraints     486
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0186P)^2^+5.1P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0597
_reflns_number_gt                5851
_reflns_number_total             6301
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gk2121.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2217068
_cod_database_fobs_code          2217068