Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate
Nawaz, Sidra; Tahir, Muhammad Nawaz; Nadeem, Muhammad Amir; Mehmood, Bushra; Ahmad, Saeed; Acta Crystallographica Section E Crystallographic Communications 71 (2015) 220–; doi:10.1107/S2056989015001395

data_2019815
_publ_section_title
;
 Crystal structure of
 bis(thiourea-\kS)bis(triphenylphosphane-\kP)silver(I) nitrate
;
_journal_coeditor_code           HB7352
_journal_issue                   2
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_page_first              220
_journal_paper_doi               10.1107/S2056989015001395
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Ag (C H4 N2 S1)2 (C18 H15 P)2] N O3'
_chemical_formula_moiety         'C38 H38 Ag N4 P2 S2 +, N O3 -'
_chemical_formula_sum            'C38 H38 Ag N5 O3 P2 S2'
_chemical_formula_weight         846.66
_chemical_name_systematic
;
Bis(thiourea-\k<i>S</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I) nitrate
;
_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-97
_cell_angle_alpha                90
_cell_angle_beta                 107.886(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.0519(6)
_cell_length_b                   15.1758(5)
_cell_length_c                   17.9186(8)
_cell_measurement_reflns_used    3813
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.000
_cell_measurement_theta_min      2.389
_cell_volume                     3895.2(3)
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_collection
;
APEX2 (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       \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  0.1000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30110
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.389
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.750
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2005)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.491
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.1395
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0192P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0881
_reflns_number_gt                3813
_reflns_number_total             7659
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb7352sup1.cf
_cod_data_source_block           I
_cod_database_code               2019815
_cod_database_fobs_code          2019815
_shelxl_version_number           2014/6