Ge4Br4[Mn(CO)5]4 and Ge6Br2[Mn(CO)5]6: first germanium cluster compounds containing Mn(CO)5 ligands.
Schenk, Christian; Schnepf, Andreas; Dalton transactions (Cambridge, England : 2003)  (2007) 5400–5404; doi:10.1039/b711404d

data_7006258
_publ_section_title
;
 Ge4Br4[Mn(CO)5]4 and Ge6Br2[Mn(CO)5]6: first germanium cluster
 compounds containing Mn(CO)5 ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5400
_journal_page_last               5404
_journal_paper_doi               10.1039/b711404d
_journal_year                    2007
_chemical_formula_sum            'C38 H16 Br2 Ge6 Mn6 O32'
_chemical_formula_weight         1909.51
_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                92.677(7)
_cell_angle_beta                 98.768(6)
_cell_angle_gamma                97.127(6)
_cell_formula_units_Z            2
_cell_length_a                   11.8044(9)
_cell_length_b                   12.0886(10)
_cell_length_c                   20.6794(17)
_cell_measurement_reflns_used    19599
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      1.64
_cell_volume                     2887.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      155(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20623
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    5.811
_exptl_absorpt_correction_T_max  0.6780
_exptl_absorpt_correction_T_min  0.4674
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.800
_refine_diff_density_min         -2.297
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     753
_refine_ls_number_reflns         10557
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0956P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1417
_refine_ls_wR_factor_ref         0.1567
_reflns_number_gt                7300
_reflns_number_total             10557
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b711404d.txt
_cod_data_source_block           cs64tric
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006258