[Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^<i>P</i>:<i>P</i>']-bis(nitrito-κ^2^<i>O</i>,<i>O</i>')]disilver(I) acetonitrile disolvate
Yang, Xue; Huang, Xu; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin; Acta Crystallographica Section E 68 (2012) m1367–; doi:10.1107/S1600536812041931

data_2236795
_publ_section_title
;
 [Bis[\m-bis(diphenylphosphino)methane-1:2\k^2^<i>P</i>:<i>P</i>']-bis(nitrito-\k^2^<i>O</i>,<i>O</i>')]disilver(I)
 acetonitrile disolvate
;
_journal_coeditor_code           ZS2232
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1367
_journal_paper_doi               10.1107/S1600536812041931
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag2 (N O2)2 (C25 H22 P2)2] , 2C2 H3 N'
_chemical_formula_moiety         'C50 H44 Ag2 N2 O4 P4, 2(C2 H3 N)'
_chemical_formula_sum            'C54 H50 Ag2 N4 O4 P4'
_chemical_formula_weight         1158.60
_chemical_name_systematic
;
[Bis[\m-bis(diphenylphosphino)methane-1:2\k^2^<i>P</i>:<i>P</i>']-
bis(nitrito-\k^2^<i>O</i>,<i>O</i>')]disilver(I) acetonitrile 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                 95.5430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1390(11)
_cell_length_b                   11.1247(9)
_cell_length_c                   20.0350(18)
_cell_measurement_reflns_used    6670
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.194
_cell_measurement_theta_min      2.489
_cell_volume                     2692.9(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13205
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.893
_exptl_absorpt_correction_T_max  0.7571
_exptl_absorpt_correction_T_min  0.7166
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.457
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4752
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0319
_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^)+(0.0370P)^2^+2.4337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0897
_reflns_number_gt                3845
_reflns_number_total             4752
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2232.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2236795
_cod_database_fobs_code          2236795