(Perchlorato-κ<i>O</i>)tris(triphenylphosphine-κ<i>P</i>)silver(I)
Cui, Li-Na; Hu, Ke-Yi; Jin, Qiong-Hua; Zhang, Cun-Lin; Acta Crystallographica Section E 66 (2010) m871–; doi:10.1107/S1600536810025171

data_2227086
_publ_section_title
;
 (Perchlorato-\k<i>O</i>)tris(triphenylphosphine-\k<i>P</i>)silver(I)
;
_journal_coeditor_code           SU2189
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m871
_journal_paper_doi               10.1107/S1600536810025171
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag (C18 H15 P)3 (Cl O4)]'
_chemical_formula_moiety         'C54 H45 Ag Cl O4 P3'
_chemical_formula_sum            'C54 H45 Ag Cl O4 P3'
_chemical_formula_weight         994.13
_chemical_name_systematic
;
(Perchlorato-\k<i>O</i>)tris(triphenylphosphine-\k<i>P</i>)silver(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.132(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.066(2)
_cell_length_b                   13.7779(16)
_cell_length_c                   19.064(2)
_cell_measurement_reflns_used    2750
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.532
_cell_measurement_theta_min      2.687
_cell_volume                     4732.9(9)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 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  0.0690
_diffrn_reflns_av_sigmaI/netI    0.1096
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23792
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.50
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_T_max  0.9005
_exptl_absorpt_correction_T_min  0.8898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.846
_refine_diff_density_min         -1.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         8339
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1292
_refine_ls_R_factor_gt           0.0574
_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^)+(0.0375P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1284
_reflns_number_gt                4010
_reflns_number_total             8339
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2189.cif
_cod_data_source_block           I
_cod_original_cell_volume        4733.0(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2227086
_cod_database_fobs_code          2227086