Crystal structure of bis(μ-nitrato-κ2 O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-κ2 P,P′]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2
Yanfei, Wang; Xin, Wang; Qianqian, Gao; Liguo, Yang; Zeitschrift für Kristallographie - New Crystal Structures 232 (2017) 81–83; doi:10.1515/ncrs-2016-0160

data_8106439
_publ_section_title
;
 Crystal structure of bis(\m-nitrato-\k2
 O:O)-bis[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-\k2
 P,P&#x2032;]disilver(I) dicloromethane monosolvate, C54H64B20Cl4O6P4Ag2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              81
_journal_page_last               83
_journal_paper_doi               10.1515/ncrs-2016-0160
_journal_volume                  232
_journal_year                    2017
_chemical_formula_sum            'C54 H64 Ag2 B20 Cl4 N2 O6 P4'
_chemical_formula_weight         1534.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                86.432(2)
_cell_angle_beta                 80.6700(10)
_cell_angle_gamma                84.031(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1200(10)
_cell_length_b                   11.9101(11)
_cell_length_c                   14.4999(15)
_cell_measurement_reflns_used    3388
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.045
_cell_measurement_theta_min      2.8495
_cell_volume                     1713.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8733
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.425
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.8592
_exptl_absorpt_correction_T_min  0.5430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.430
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.066
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5920
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0964P)^2^+0.3154P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1400
_refine_ls_wR_factor_ref         0.1544
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4341
_reflns_number_total             5920
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2016-0160_suppl.cif
_cod_data_source_block           f
_cod_database_code               8106439
_shelx_estimated_absorpt_t_min   0.543
_shelx_estimated_absorpt_t_max   0.859
_shelx_res_checksum              20265
_shelx_hkl_checksum              10693