(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)
Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa; IUCrData 2 (2017) x171185–; doi:10.1107/S2414314617011853

data_1546791
_publ_section_title
;
 (Thiocyanato-\k<i>S</i>)tris(triphenylphosphane-\k<i>P</i>)silver(I)
;
_journal_coeditor_code           TK4035
_journal_issue                   8
_journal_name_full               IUCrData
_journal_page_first              x171185
_journal_paper_doi               10.1107/S2414314617011853
_journal_volume                  2
_journal_year                    2017
_chemical_formula_iupac          '[Ag (N C S) (C18 H15 P)3]'
_chemical_formula_moiety         'C55 H45 Ag N P3 S'
_chemical_formula_sum            'C55 H45 Ag N P3 S'
_chemical_formula_weight         952.76
_chemical_name_systematic
;
(Thiocyanato-\k<i>S</i>)tris(triphenylphosphane-\k<i>P</i>)silver(I)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 94.711(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.1884(10)
_cell_length_b                   13.5886(7)
_cell_length_c                   18.3224(10)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.3202
_cell_measurement_theta_min      3.4408
_cell_volume                     4513.2(4)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS'
_diffrn_measurement_method       '\w and \fi scans'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0141
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            35349
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.371
_diffrn_reflns_theta_min         3.199
_exptl_absorpt_coefficient_mu    0.638
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(APEX3; Bruker, 2016)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_description       block
_exptl_crystal_F_000             1960
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.400
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.949
_refine_ls_extinction_coef       0.000262
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     597
_refine_ls_number_reflns         18408
_refine_ls_number_restraints     192
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0152P)^2^+3.9007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                16598
_reflns_number_total             18408
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            tk4035sup1.cif
_cod_data_source_block           I
_cod_database_code               1546791
_shelx_estimated_absorpt_t_min   0.720
_shelx_estimated_absorpt_t_max   0.784
_shelx_hkl_checksum              96601
_shelx_res_checksum              35737
_cod_database_fobs_code 1546791