Carbidoheptarhenate Cluster Complexes of Cadmium and Zinc Units: The Structure of [PPh4]2[Re7C(CO)21(μ3-ZnCl)]
Chris A. Wright; John R. Shapley; Inorganic Chemistry 40 (2001) 6338–6340; doi:10.1021/ic0106064

data_4320597
_publ_section_title
;
 Carbidoheptarhenate Cluster Complexes of Cadmium and Zinc Units: The
 Structure of [PPh4]2[Re7C(CO)21(\m3-ZnCl)]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6338
_journal_page_last               6340
_journal_paper_doi               10.1021/ic0106064
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C70 H40 Cl O21 P2 Re7 Zn'
_chemical_formula_weight         2652.21
_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                102.663(2)
_cell_angle_beta                 91.869(2)
_cell_angle_gamma                119.104(2)
_cell_formula_units_Z            2
_cell_length_a                   13.4464(15)
_cell_length_b                   13.6527(16)
_cell_length_c                   22.843(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3526.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.886
_diffrn_measured_fraction_theta_max 0.886
_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  0.0650
_diffrn_reflns_av_sigmaI/netI    0.1572
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22037
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    12.428
_exptl_crystal_density_diffrn    2.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2430
_refine_diff_density_max         3.431
_refine_diff_density_min         -4.408
_refine_diff_density_rms         0.365
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.825
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     919
_refine_ls_number_reflns         15505
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.825
_refine_ls_R_factor_all          0.1407
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0672P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1465
_reflns_number_gt                6701
_reflns_number_total             15505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0106064.cif
_cod_data_source_block           '[PPh4][2]'
_cod_database_code               4320597