Crystal structure of a new polymorph of bis[μ-1,3-bis(diphenylphosphino)propane-κ2 P:P′-disilver(I)] bis(tetrafluoroborate), [Ag(dppp)]2(BF4)2, C54H52Ag2B2F8P4
Kuang, Xiao-Nan; Lin, Sen; Li, Si-Fan; Li, Yue; Xin, Xiu-Lan; Jin, Qiong-Hua; Zeitschrift für Kristallographie - New Crystal Structures 233 (2018) 551–553; doi:10.1515/ncrs-2017-0285

data_8106214
_publ_section_title
;
 Crystal structure of a new polymorph of
 bis[\m-1,3-bis(diphenylphosphino)propane-\k2 P:P&#x2032;-disilver(I)]
 bis(tetrafluoroborate), [Ag(dppp)]2(BF4)2, C54H52Ag2B2F8P4
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              551
_journal_page_last               553
_journal_paper_doi               10.1515/ncrs-2017-0285
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C54 H52 Ag2 B2 F8 P4'
_chemical_formula_weight         1214.19
_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
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                100.8240(10)
_cell_angle_beta                 102.185(2)
_cell_angle_gamma                110.470(3)
_cell_formula_units_Z            2
_cell_length_a                   11.4869(4)
_cell_length_b                   12.9118(5)
_cell_length_c                   19.6858(6)
_cell_measurement_reflns_used    8334
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3862
_cell_measurement_theta_min      2.9348
_cell_volume                     2562.32(17)
_computing_cell_refinement       'Bruker FRAMBO [1]'
_computing_data_collection       'Bruker FRAMBO [1]'
_computing_data_reduction        'Bruker SAINT [1]'
_computing_molecular_graphics    'Bruker SHELXTL [2]'
_computing_publication_material  'Bruker SHELXTL [2]'
_computing_structure_refinement  'SHELXL-2014/6 [2]'
_computing_structure_solution    'SHELXS-2014 [2]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart 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  0.0193
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16198
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_min         2.941
_exptl_absorpt_coefficient_mu    0.955
_exptl_absorpt_correction_T_max  0.7129
_exptl_absorpt_correction_T_min  0.6841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.380
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0268P)^2^+1.2898P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0666
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7937
_reflns_number_total             9051
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2017-0285_suppl.cif
_cod_data_source_block           e
_cod_original_cell_volume        2562.31(16)
_cod_database_code               8106214
_shelx_estimated_absorpt_t_min   0.684
_shelx_estimated_absorpt_t_max   0.713
_shelxl_version_number           2014/6
_shelx_res_checksum              47898
_shelx_hkl_checksum              22799