μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate
Li, Yun-Hua; Shao, Yong-Liang; IUCrData 1 (2016) x160332–; doi:10.1107/S2414314616003321

data_1542727
_publ_section_title
;
 \m-Chlorido-bis[(dimethyl
 sulfoxide-\k<i>O</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I)] nitrate
;
_journal_coeditor_code           WM4005
_journal_issue                   3
_journal_name_full               IUCrData
_journal_page_first              x160332
_journal_paper_doi               10.1107/S2414314616003321
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Ag2 Cl (C2 H6 O S)2 (C18 H15 P)4] N O3'
_chemical_formula_moiety         'C76 H72 Ag2 Cl O2 P4 S2 +, N O3 -'
_chemical_formula_sum            'C76 H72 Ag2 Cl N O5 P4 S2'
_chemical_formula_weight         1518.56
_chemical_name_systematic
;
\m-Chlorido-bis[(dimethyl
sulfoxide-\k<i>O</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I)] nitrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                93.489(5)
_cell_angle_beta                 117.157(4)
_cell_angle_gamma                115.354(4)
_cell_formula_units_Z            1
_cell_length_a                   12.440(3)
_cell_length_b                   13.070(3)
_cell_length_c                   13.579(3)
_cell_measurement_reflns_used    4355
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.25
_cell_volume                     1682.6(7)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Agilent CCD Xcalibur'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8521
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>CrysAlis PRO</i>; Agilent, 2014)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.388
_refine_diff_density_min         -2.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         5868
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0478P)^2^+6.8934P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1528
_reflns_number_gt                5298
_reflns_number_total             5941
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm4005sup1.cif
_cod_data_source_block           I
_cod_database_code               1542727
_cod_database_fobs_code 1542727