[Ge8(Mo(CO)3)2]^4-^: an unprecedented 20-electron empty ten-vertex Zintl cluster
Yi Wang; Qian Qin; Jinyun Wang; Ruili Sang; Li Xu; Chem.Commun. 50 (2014) 4181–; doi:10.1039/C4CC00518J

data_7112230
_publ_section_title
;
 [Ge8(Mo(CO)3)2]^4-^: an unprecedented 20-electron empty ten-vertex Zintl
 cluster
;
_journal_name_full               Chem.Commun.
_journal_page_first              4181
_journal_paper_doi               10.1039/C4CC00518J
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C44 H80 Ge8 K4 Mo2 N2 O24'
_chemical_formula_weight         1950.10
_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                 109.848(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.497(4)
_cell_length_b                   30.191(9)
_cell_length_c                   18.400(6)
_cell_measurement_reflns_used    14788
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.5283
_cell_measurement_theta_min      2.1211
_cell_volume                     7052(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0574
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53885
_diffrn_reflns_theta_full        27.32
_diffrn_reflns_theta_max         27.32
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    4.005
_exptl_absorpt_correction_T_max  0.6902
_exptl_absorpt_correction_T_min  0.3796
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.843
_refine_diff_density_min         -1.340
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         15365
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0515
_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^)+(0.0408P)^2^+23.0701P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1165
_reflns_number_gt                13152
_reflns_number_total             15365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc00518j2.cif
_cod_data_source_block           CCDC948004[Ge8(Mo(CO)3)2]4-
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7112230