Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) trifluoromethanesulfonate dichloromethane monosolvate
Jiang, Yu-Hang; Cui, Li-Na; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin; Acta Crystallographica Section E 67 (2011) m1499–; doi:10.1107/S1600536811040670

data_2232224
_publ_section_title
;
 Tetrakis(triphenylphosphane-\k<i>P</i>)silver(I)
 trifluoromethanesulfonate dichloromethane monosolvate
;
_journal_coeditor_code           FF2029
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1499
_journal_paper_doi               10.1107/S1600536811040670
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C18 H15 P)4] C F3 O3 S, C H2 Cl2'
_chemical_formula_moiety         'C72 H60 Ag P4 +, C F3 O3 S -, C H2 Cl2'
_chemical_formula_sum            'C74 H62 Ag Cl2 F3 O3 P4 S'
_chemical_formula_weight         1390.95
_chemical_name_systematic
;
Tetrakis(triphenylphosphane-\k<i>P</i>)silver(I) trifluoromethanesulfonate
dichloromethane monosolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.613(2)
_cell_angle_beta                 85.8580(10)
_cell_angle_gamma                88.4900(10)
_cell_formula_units_Z            2
_cell_length_a                   11.9868(11)
_cell_length_b                   14.7498(14)
_cell_length_c                   18.7887(17)
_cell_measurement_reflns_used    3454
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.85
_cell_measurement_theta_min      2.364
_cell_volume                     3312.0(5)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0447
_diffrn_reflns_av_sigmaI/netI    0.1097
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17415
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_T_max  0.8754
_exptl_absorpt_correction_T_min  0.7837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.742
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     793
_refine_ls_number_reflns         11528
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1330
_refine_ls_R_factor_gt           0.0686
_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^)+(0.1057P)^2^+0.2104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1681
_refine_ls_wR_factor_ref         0.2148
_reflns_number_gt                6308
_reflns_number_total             11528
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ff2029.cif
_cod_data_source_block           I
_cod_database_code               2232224
_cod_database_fobs_code          2232224