Metallaboranes of the earlier transition metals. An arachno nine-vertex, nine-skeletal electron pair rhenaborane of novel shape: importance of total vertex connectivities in such systems
Ghosh, Sundargopal; Rheingold, Arnold L.; Fehlner, Thomas P.; Chemical Communications  (2001) 895–; doi:10.1039/b101918j

data_7114844
_publ_section_title
;
 Metallaboranes of the earlier transition metals. An arachno nine-vertex,
 nine-skeletal electron pair rhenaborane of novel shape: importance of
 total vertex connectivities in such systems
;
_journal_issue                   10
_journal_name_full               'Chemical Communications'
_journal_page_first              895
_journal_paper_doi               10.1039/b101918j
_journal_year                    2001
_chemical_formula_sum            'C20 H41 B7 Re2'
_chemical_formula_weight         729.60
_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                111.5640(10)
_cell_angle_beta                 102.924(2)
_cell_angle_gamma                99.4110(10)
_cell_formula_units_Z            4
_cell_length_a                   8.7967(2)
_cell_length_b                   17.7865(3)
_cell_length_c                   18.0509(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2464.22(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20160
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    9.821
_exptl_absorpt_correction_T_max  0.2441
_exptl_absorpt_correction_T_min  0.1108
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.749
_refine_diff_density_min         -3.314
_refine_diff_density_rms         0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8614
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          1.648
_refine_ls_shift/su_mean         0.039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1472
_reflns_number_gt                6606
_reflns_number_total             8614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b101918j.txt
_cod_data_source_block           cob02
_cod_original_cell_volume        2464.21(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114844