Tetrahedral-Shaped Anions as a Template in the Synthesis of High-Nuclearity Silver(I) Dithiophosphate Clusters
Jian-Hong Liao; How-Wei Chang; Hong-Chih You; Ching-Shiang Fang; C. W. Liu; Inorganic Chemistry 50 (2011) 2070–2072; doi:10.1021/ic102453q

data_4324708
_publ_section_title
;
 Tetrahedral-Shaped Anions as a Template in the Synthesis of
 High-Nuclearity Silver(I) Dithiophosphate Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2070
_journal_page_last               2072
_journal_paper_doi               10.1021/ic102453q
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C51 H126 Ag16 F12 Mo O29 P14 S24'
_chemical_formula_weight         4456.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.661(2)
_cell_angle_beta                 90.995(2)
_cell_angle_gamma                95.522(2)
_cell_formula_units_Z            2
_cell_length_a                   15.6227(15)
_cell_length_b                   15.7332(14)
_cell_length_c                   28.605(3)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      23.18
_cell_measurement_theta_min      2.29
_cell_volume                     6895.1(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            40484
_diffrn_reflns_theta_full        25.17
_diffrn_reflns_theta_max         25.17
_diffrn_reflns_theta_min         0.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.897
_exptl_absorpt_correction_T_max  0.7411
_exptl_absorpt_correction_T_min  0.6236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.146
_exptl_crystal_description       block
_exptl_crystal_F_000             4320
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.965
_refine_diff_density_min         -2.269
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1329
_refine_ls_number_reflns         24021
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1280P)^2^+11.5551P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                14454
_reflns_number_total             24021
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102453q_si_001_4.cif
_cod_data_source_block           4
_cod_original_cell_volume        6895.2(11)
_cod_database_code               4324708