[Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as unusual building blocks for a supramolecular chemistry
Schenk, Christian; Henke, Florian; Santiso-Quiñones, Gustavo; Krossing, Ingo; Schnepf, Andreas; Dalton Transactions  (2008) 4436–4441; doi:10.1039/b717506j

data_7003611
_publ_section_title
;
 [Si(SiMe3)3]6Ge18M (M = Cu, Ag, Au): metalloid cluster compounds as
 unusual building blocks for a supramolecular chemistry
;
_journal_issue                   33
_journal_name_full               'Dalton Transactions'
_journal_page_first              4436
_journal_page_last               4441
_journal_paper_doi               10.1039/b717506j
_journal_year                    2008
_chemical_formula_sum            'C78 H210 Ag Ge18 Li O6 Si24'
_chemical_formula_weight         3340.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.049(17)
_cell_angle_beta                 97.049(17)
_cell_angle_gamma                97.049(17)
_cell_formula_units_Z            1
_cell_length_a                   15.6343(18)
_cell_length_b                   15.6343(18)
_cell_length_c                   15.6343(18)
_cell_measurement_reflns_used    18451
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      25.955
_cell_measurement_theta_min      1.705
_cell_volume                     3727.0(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      149(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13286
_diffrn_reflns_theta_full        25.94
_diffrn_reflns_theta_max         25.94
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    3.925
_exptl_absorpt_correction_T_max  0.4943
_exptl_absorpt_correction_T_min  0.4022
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         4833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0348
_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^)+(0.0420P)^2^+2.8876P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0882
_reflns_number_gt                3990
_reflns_number_total             4833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717506j.txt
_cod_data_source_block           cs68p-3
_cod_original_cell_volume        3727.0(7)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7003611