Ge8R6: the ligands define the bonding situation within the cluster core.
Schnepf, Andreas; Drost, Christian; Dalton transactions (Cambridge, England : 2003)  (2005) 3277–3280; doi:10.1039/b508379f

data_7000103
_publ_section_title
;
 Ge8R6: the ligands define the bonding situation within the cluster
 core.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3277
_journal_page_last               3280
_journal_paper_doi               10.1039/b508379f
_journal_year                    2005
_chemical_formula_sum            'C88 H136 Ge8 O13'
_chemical_formula_weight         1982.69
_chemical_name_systematic
;
?
;
_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                64.18(3)
_cell_angle_beta                 73.81(3)
_cell_angle_gamma                61.41(3)
_cell_formula_units_Z            1
_cell_length_a                   13.856(3)
_cell_length_b                   13.981(3)
_cell_length_c                   15.252(3)
_cell_measurement_reflns_used    16129
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      1.49
_cell_volume                     2326.1(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      149(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0643
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25179
_diffrn_reflns_theta_full        27.14
_diffrn_reflns_theta_max         27.14
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    2.603
_exptl_absorpt_correction_T_max  0.8594
_exptl_absorpt_correction_T_min  0.6864
_exptl_absorpt_correction_type   numeric
_exptl_crystal_colour            orange.red
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.710
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         10222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0380
_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^)+(0.0361P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                6514
_reflns_number_total             10222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b508379f.txt
_cod_data_source_block           fh2et2o
_cod_original_cell_volume        2326.4(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000103