[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_7003612
_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 Cu Ge18 Li O6 Si24'
_chemical_formula_weight         3295.72
_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                97.309(17)
_cell_angle_beta                 97.309(17)
_cell_angle_gamma                97.309(17)
_cell_formula_units_Z            1
_cell_length_a                   15.6548(18)
_cell_length_b                   15.6548(18)
_cell_length_c                   15.6548(18)
_cell_measurement_reflns_used    10596
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      23.93
_cell_measurement_theta_min      1.285
_cell_volume                     3734.2(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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0673
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15371
_diffrn_reflns_theta_full        24.01
_diffrn_reflns_theta_max         24.01
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    3.928
_exptl_absorpt_correction_T_max  0.8191
_exptl_absorpt_correction_T_min  0.7262
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1670
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.092
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         3883
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                2733
_reflns_number_total             3883
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717506j.txt
_cod_data_source_block           cs75r-3b
_cod_original_cell_volume        3734.2(7)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7003612