[1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate
Wattanakanjana, Yupa; Palamae, Sureeporn; Ratthiwan, Jenejira; Nimthong, Ruthairat; Acta Crystallographica Section E 70 (2014) m61–m62; doi:10.1107/S1600536814001196

data_2239020
_publ_section_title
;
 [1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-\k<i>S</i>]bis(triphenylphosphane-\k<i>P</i>)(nitrato-\k<i>O</i>)silver(I)
 methanol monosolvate
;
_journal_coeditor_code           LH5682
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m61
_journal_page_last               m62
_journal_paper_doi               10.1107/S1600536814001196
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Ag (N O3) (C2 H3 N3 S) (C18 H15 P)2], C H4 O'
_chemical_formula_moiety         'C38 H33 Ag N4 O3 P2 S, C H4 O'
_chemical_formula_sum            'C39 H37 Ag N4 O4 P2 S'
_chemical_formula_weight         827.59
_chemical_name_systematic
;[1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-\k<i>S</i>]bis(triphenylphosphane-\k<i>P</i>)(nitrato-\k<i>O</i>)silver(I)
methanol monosolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 107.934(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2712(14)
_cell_length_b                   14.3999(15)
_cell_length_c                   20.198(2)
_cell_measurement_reflns_used    6153
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.1242
_cell_measurement_theta_min      2.2336
_cell_volume                     3672.4(7)
_computing_cell_refinement       'SAINT (Bruker, 2011)'
_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_data_reduction        'SAINT (Bruker, 2011)'
_computing_molecular_graphics
'Mercury (Macrae <i>et al.</i>, 2008) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement
;
SHELXL2012 (Sheldrick, 2008) and
<i>SHELXLE</i> (H\"ubschle <i>et al.</i>, 2011)
;
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            28287
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.431
_diffrn_reflns_theta_min         2.162
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2011)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.352
_refine_diff_density_min         -0.732
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     462
_refine_ls_number_reflns         10825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+0.1882P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                8714
_reflns_number_total             10825
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5682sup1.cf
_cod_data_source_block           I
_cod_database_code               2239020
_cod_database_fobs_code          2239020
_shelx_estimated_absorpt_t_min   0.771
_shelx_estimated_absorpt_t_max   0.878
_shelx_hkl_checksum              870
_shelx_res_checksum              88023
_shelxl_version_number           .000002012