{Ge9[Si(SiMe3)2(SiPh3)]3}(-): Ligand Modification in Metalloid Germanium Cluster Chemistry.
Kysliak, Oleksandr; Schrenk, Claudio; Schnepf, Andreas; Inorganic chemistry 54 (2015) 7083–7088; doi:10.1021/acs.inorgchem.5b01130

data_4343608
_publ_section_title
;
 {Ge9[Si(SiMe3)2(SiPh3)]3}(-): Ligand Modification in Metalloid Germanium
 Cluster Chemistry.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7083
_journal_page_last               7088
_journal_paper_doi               10.1021/acs.inorgchem.5b01130
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C220 H350 Ge18 Hg O19 Si24'
_chemical_formula_weight         5480.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                112.591(2)
_cell_angle_beta                 108.382(2)
_cell_angle_gamma                103.660(2)
_cell_formula_units_Z            1
_cell_length_a                   19.1052(19)
_cell_length_b                   20.270(2)
_cell_length_c                   20.835(2)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.38
_cell_volume                     6454.9(11)
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            54773
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    2.817
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6472
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2814
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.396
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1108
_refine_ls_number_reflns         25981
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0493
_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^)+(0.0672P)^2^+9.7641P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                17294
_reflns_number_total             25981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01130_si_003.cif
_cod_data_source_block           k16p-1
_cod_depositor_comments
'Adding full bibliography for 4343607--4343608.cif.'
_cod_original_cell_volume        6454.6(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4343608