{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_7104496
_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            'C48 H113 Cr Ge9 Li O9 Si12'
_chemical_formula_weight         1883.71
_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                 99.39(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.419(3)
_cell_length_b                   41.714(8)
_cell_length_c                   14.636(3)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    149(2)
_cell_measurement_theta_max      32.56
_cell_measurement_theta_min      2.30
_cell_volume                     8686(3)
_computing_cell_refinement       'SMART-NT 5.6 (Bruker AXS Inc., 2000)'
_computing_data_collection       'SMART-NT 5.6 (Bruker AXS Inc., 2000)'
_computing_data_reduction        'SAINT+ 6.0 (Bruker AXS Inc., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.824
_diffrn_measured_fraction_theta_max 0.824
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            31969
_diffrn_reflns_theta_full        32.74
_diffrn_reflns_theta_max         32.74
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    3.391
_exptl_absorpt_correction_T_max  0.9674
_exptl_absorpt_correction_T_min  0.2392
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3824
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.058
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1002
_refine_ls_number_reflns         18525
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0519
_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^)+(0.1048P)^2^+2.3516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1551
_refine_ls_wR_factor_ref         0.1603
_reflns_number_gt                15222
_reflns_number_total             18525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901870k.txt
_cod_data_source_block           cs93mon
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7104496