Tetrakis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)silver(I) hexafluorophosphate
Venter, Gertruida J. S.; Meijboom, Reinout; Roodt, Andreas; Acta Crystallographica Section E 62 (2006) m3453–m3455; doi:10.1107/S160053680604760X

data_2211542
_publ_section_title
;
 Tetrakis(tri-<i>p</i>-tolylphosphine-\k<i>P</i>)silver(I)
 hexafluorophosphate
;
_journal_coeditor_code           NG2149
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3453
_journal_page_last               m3455
_journal_paper_doi               10.1107/S160053680604760X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ag (C21 H21 P1)4] P F6'
_chemical_formula_moiety         'C84 H84 Ag P4 +, P F6 -'
_chemical_formula_sum            'C84 H84 Ag F6 P5'
_chemical_formula_weight         1470.23
_chemical_name_systematic
;
Tetrakis(tri-p-tolylphosphine-\kP)silver(I) hexafluorophosphate
;
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.6842(4)
_cell_length_b                   24.6842(4)
_cell_length_c                   24.6842(4)
_cell_measurement_reflns_used    8586
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      25.65
_cell_measurement_theta_min      2.33
_cell_volume                     15040.3(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type
;
Bruker X8 APEX0II 4K KappaCCD
;
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            122435
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.433
_exptl_absorpt_correction_T_max  0.8598
_exptl_absorpt_correction_T_min  0.8459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             6112
_exptl_crystal_size_max          0.399
_exptl_crystal_size_mid          0.368
_exptl_crystal_size_min          0.362
_refine_diff_density_max         1.576
_refine_diff_density_min         -0.549
_refine_ls_abs_structure_details 'Flack (1983), 5852 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.024(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         12538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0501P)^2^+9.1168P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                10906
_reflns_number_total             12538
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2149.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P21 3  '
_cod_database_code               2211542
_cod_database_fobs_code          2211542