Crystal structure of bis(triphenylphosphine-κP)bis(μ2-1H,1′H-2,2′-biimidazole-κ3 N,N′:N′)disilver(I) bis(tetrafluoroborate), C48H42Ag2B2F8N8P2
Wang, Guo; Cui, Yang-Zhe; Qiu, Qi-Ming; Hu, Ke-Yi; Jin, Qiong-Hua; Zeitschrift für Kristallographie - New Crystal Structures 231 (2016) 343–345; doi:10.1515/ncrs-2013-8081

data_8106871
_publ_section_title
;
 Crystal structure of
 bis(triphenylphosphine-\kP)bis(\m2-1H,1&#x2032;H-2,2&#x2032;-biimidazole-\k3
 N,N&#x2032;:N&#x2032;)disilver(I) bis(tetrafluoroborate),
 C48H42Ag2B2F8N8P2
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              343
_journal_page_last               345
_journal_paper_doi               10.1515/ncrs-2013-8081
_journal_volume                  231
_journal_year                    2016
_chemical_formula_sum            'C48 H42 Ag2 B2 F8 N8 P2'
_chemical_formula_weight         1182.20
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                76.3060(10)
_cell_angle_beta                 74.0780(10)
_cell_angle_gamma                78.373(2)
_cell_formula_units_Z            1
_cell_length_a                   9.0101(10)
_cell_length_b                   10.9001(12)
_cell_length_c                   13.1749(15)
_cell_measurement_reflns_used    3392
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.54
_cell_measurement_theta_min      2.377
_cell_volume                     1195.9(2)
_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  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            6232
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  0.8309
_exptl_absorpt_correction_T_min  0.6607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4149
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+0.9172P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0689
_refine_ls_wR_factor_ref         0.0771
_reflns_number_gt                3399
_reflns_number_total             4149
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2013-8081_suppl.cif
_cod_data_source_block           081220c
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8106871