Synthesis, photophysics, and electrochemistry of hexanuclear silver(I) chalcogenolate complexes. X-Ray crystal structures of [Ag6(µ-dppm)4(µ3-SC6H4Me-p)4](PF6)2 and [Ag6(µ-dppm)4(µ3-SeC6H4Cl-p)4](PF6)2
Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong; New Journal of Chemistry 26 (2002) 279–; doi:10.1039/b108759m

data_7050734
_publ_section_title
;
 Synthesis, photophysics, and electrochemistry of hexanuclear silver(I)
 chalcogenolate complexes. X-Ray crystal structures of
 [Ag6(&#x00B5;-dppm)4(&#x00B5;3-SC6H4Me-p)4](PF6)2 and
 [Ag6(&#x00B5;-dppm)4(&#x00B5;3-SeC6H4Cl-p)4](PF6)2
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              279
_journal_paper_doi               10.1039/b108759m
_journal_volume                  26
_journal_year                    2002
_chemical_formula_moiety         'C140 H100 Ag6 P6 S4'
_chemical_formula_sum            'C128 H116 Ag6 F12 P10 S4'
_chemical_formula_weight         2967.37
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.140(2)
_cell_length_b                   16.140(2)
_cell_length_c                   27.624(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     7196.0(16)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            29063
_diffrn_reflns_theta_full        25.58
_diffrn_reflns_theta_max         25.58
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.027
_exptl_absorpt_correction_T_max  0.8209
_exptl_absorpt_correction_T_min  0.5778
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.103
_refine_diff_density_min         -1.190
_refine_diff_density_rms         0.318
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         6660
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.515
_refine_ls_shift/su_mean         0.043
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0810P)^2^+0.0421P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                6118
_reflns_number_total             6660
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108759m.txt
_cod_data_source_block           mar57
_cod_original_cell_volume        7195.5(16)
_cod_database_code               7050734