Ge(14)[Ge(SiMe(3))(3)](5)Li(3)(THF)(6): the largest metalloid cluster compound of germanium: on the way to fullerene-like compounds?
Schenk, Christian; Schnepf, Andreas; Chemical communications (Cambridge, England)  (2008) 4643–4645; doi:10.1039/b808279k

data_7103371
_publ_section_title
;
 Ge(14)[Ge(SiMe(3))(3)](5)Li(3)(THF)(6): the largest metalloid cluster
 compound of germanium: on the way to fullerene-like compounds?
;
_journal_issue                   38
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4643
_journal_page_last               4645
_journal_paper_doi               10.1039/b808279k
_journal_year                    2008
_chemical_formula_sum            'C85 H229 Ge20 Li3 O7 Si19'
_chemical_formula_weight         3370.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                120.00
_cell_formula_units_Z            2
_cell_length_a                   20.3002(10)
_cell_length_b                   20.3002(10)
_cell_length_c                   22.100(2)
_cell_measurement_reflns_used    17145
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      31.981
_cell_measurement_theta_min      2.458
_cell_volume                     7887.0(9)
_computing_cell_refinement       'APEX2 (Bruker AXS Inc., 2005)'
_computing_data_collection       'APEX2 (Bruker AXS Inc., 2005)'
_computing_data_reduction        'APEX2 (Bruker AXS Inc., 2005)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_refinement  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_solution    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.909
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_radiation_monochromator  silicon
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.80000
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13986
_diffrn_reflns_theta_full        31.59
_diffrn_reflns_theta_max         31.59
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    3.927
_exptl_absorpt_correction_T_max  0.6931
_exptl_absorpt_correction_T_min  0.2423
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3420
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         5778
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0457
_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^)+(0.0384P)^2^+11.8857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1161
_reflns_number_gt                4752
_reflns_number_total             5778
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b808279k.txt
_cod_data_source_block           cs62p63m
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               7103371