{Ge9R3Cr(CO)5}- and {Ge9R3Cr(CO)3}-: a metalloid cluster (Ge9R3-) as a flexible ligand in coordination chemistry [R=Si(SiMe3)3].
Schenk, Christian; Schnepf, Andreas; Chemical communications (Cambridge, England) 34 (2009) 3208–3210; doi:10.1039/b901870k

data_7104495
_publ_section_title
;
 {Ge9R3Cr(CO)5}- and {Ge9R3Cr(CO)3}-: a metalloid cluster (Ge9R3-) as a
 flexible ligand in coordination chemistry [R=Si(SiMe3)3].
;
_journal_issue                   22
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3208
_journal_page_last               3210
_journal_paper_doi               10.1039/b901870k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C86 H218 Cr2 Ge18 Li2 O10 Si24'
_chemical_formula_weight         3511.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 98.39(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.492(4)
_cell_length_b                   20.471(4)
_cell_length_c                   23.186(5)
_cell_measurement_reflns_used    54773
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      1.35
_cell_volume                     8213(3)
_computing_cell_refinement       'X-Area 1.38 (Stoe & Cie GmbH, 2006)'
_computing_data_collection       'WinXpose 1.6.8 (Stoe & Cie GmbH, 2004)'
_computing_data_reduction        'X-Area 1.38 (Stoe & Cie GmbH, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      149(2)
_diffrn_detector_area_resol_mean 6.667
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       '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  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0970
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            54773
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    3.577
_exptl_absorpt_correction_T_max  0.8631
_exptl_absorpt_correction_T_min  0.4781
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
XPREP in SHELXTL 6.12 (BrukerAXS Inc., 2003)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.237
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.827
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     627
_refine_ls_number_reflns         15500
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      0.827
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0483
_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^)+(0.0477P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1083
_reflns_number_gt                8388
_reflns_number_total             15500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901870k.txt
_cod_data_source_block           cs109mon
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7104495