Di-μ-thiocyanato-bis[bis(tri-<i>p</i>-tolylphosphine)silver(I)] 0.35-hydrate
Khumalo, Nozipho M.; Meijboom, Reinout; Muller, Alfred; Omondi, Bernard; Acta Crystallographica Section E 66 (2010) m451–m452; doi:10.1107/S1600536810010032

data_2225553
_publ_section_title
;
 Di-\m-thiocyanato-bis[bis(tri-<i>p</i>-tolylphosphine)silver(I)]
 0.35-hydrate
;
_journal_coeditor_code           HG2658
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m451
_journal_page_last               m452
_journal_paper_doi               10.1107/S1600536810010032
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag2 (N C S)2 (C21 H21 P)4], 0.35H2 O'
_chemical_formula_moiety         'C86 H84 Ag2 N2 P4 S2, 0.35(H2 O)'
_chemical_formula_sum            'C86 H84 Ag2 N2 O0.35 P4 S2'
_chemical_formula_weight         1554.94
_chemical_name_systematic
;
Di-\m-thiocyanato-bis[bis(tri-<i>p</i>-tolylphosphine)silver(I)] 0.35-hydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.5750(10)
_cell_angle_beta                 110.0640(10)
_cell_angle_gamma                105.6150(10)
_cell_formula_units_Z            1
_cell_length_a                   10.5470(6)
_cell_length_b                   13.5063(8)
_cell_length_c                   14.9779(8)
_cell_measurement_reflns_used    19388
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      1.46
_cell_volume                     1913.15(19)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2004)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997), PLATON (Spek, 2009) and
DIAMOND
(Brandenburg & Putz, 2005)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23789
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  0.9026
_exptl_absorpt_correction_T_min  0.7584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             803.2
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.665
_refine_diff_density_min         -1.704
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.853
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         9487
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+4.2409P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                8868
_reflns_number_total             9487
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg2658.cif
_cod_data_source_block           I
_cod_database_code               2225553
_cod_database_fobs_code          2225553