Solid State Structures of [Ag5(dppm)4(S2CC(CN)P(O)(OEt)2)2][PF6] and Ag4(dppm)4(S2CC(CN)P(O)(OEt)2)2: Variable Coordination Modes of 1,1-Dithiolate to Silver(I)
C. W. Liu; Ben-Jie Liaw; Ju-Chung Wang; Tai-Chiun Keng; Inorganic Chemistry 39 (2000) 1329–1332; doi:10.1021/ic991012s

data_4300162
_publ_section_title
;
Solid State Structures of [Ag5(dppm)4(S2CC(CN)P(O)(OEt)2)2][PF6] and
Ag4(dppm)4(S2CC(CN)P(O)(OEt)2)2: Variable Coordination Modes of
1,1-Dithiolate to Silver(I)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1329
_journal_page_last               1332
_journal_paper_doi               10.1021/ic991012s
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C116 H112 Ag5 Cl4 F6 N2 O6 P11 S4'
_chemical_formula_weight         2894.14
_space_group_IT_number           15
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.9140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.6267(11)
_cell_length_b                   23.0079(13)
_cell_length_c                   26.3660(15)
_cell_measurement_temperature    298(2)
_cell_volume                     12511.1(12)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.880
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'Siemens SMART-CCD'
_diffrn_measurement_method       '\w scans'
_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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17123
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    1.122
_exptl_absorpt_correction_T_max  0.7804
_exptl_absorpt_correction_T_min  0.7013
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Siemens SHELXTL'
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NUGGET
_exptl_crystal_F_000             5824
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.36
_refine_diff_density_max         1.552
_refine_diff_density_min         -0.925
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         9744
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+56.3497P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1593
_reflns_number_gt                9016
_reflns_number_total             9744
_reflns_threshold_expression     >2sigma(I)
_cod_database_code               4300162