Hexakis(μ~3~-<i>N</i>,<i>N</i>-diisopropyldithiocarbamato)hexasilver(I)(6 <i>Ag</i>—<i>Ag</i>)
Xia Yin; Mu-Biao Xie; Wei-Guang Zhang; Jun Fan; Matthias Zeller; Acta Crystallographica Section E 63 (2007) m2063–m2064; doi:10.1107/S1600536807031431

data_2214654
_publ_section_title
;
 Hexakis(\m~3~-<i>N</i>,<i>N</i>-diisopropyldithiocarbamato)hexasilver(I)(6
 <i>Ag</i>---<i>Ag</i>)
;
_journal_coeditor_code           GG2019
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2063
_journal_page_last               m2064
_journal_paper_doi               10.1107/S1600536807031431
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag6 (C7 H14 N1 S2)6]'
_chemical_formula_moiety         'C42 H84 Ag6 N6 S12'
_chemical_formula_sum            'C42 H84 Ag6 N6 S12'
_chemical_formula_weight         1705.21
_chemical_name_systematic
;
Hexa-\m~3~-N,N-diisopropyldithiocarbamato-hexasilver(I)(6 Ag---Ag)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.0830(10)
_cell_angle_beta                 78.8250(10)
_cell_angle_gamma                62.8740(10)
_cell_formula_units_Z            1
_cell_length_a                   11.5958(2)
_cell_length_b                   12.4826(3)
_cell_length_c                   12.7543(2)
_cell_measurement_reflns_used    1000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     1611.69(6)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       '\f and \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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16354
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    2.209
_exptl_absorpt_correction_T_max  0.733
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.525
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         5779
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0373
_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^)+(0.0371P)^2^+0.1926P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                4071
_reflns_number_total             5779
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg2019.cif
_cod_data_source_block           I
_cod_database_code               2214654
_cod_database_fobs_code          2214654