Metal−Metal Bond Opening Toward Main Group−Transition Element Rings
Leong, Weng Kee; Chen, Guizhu; Organometallics 20 (2001) 5771–; doi:10.1021/om010649s

data_4077429
_publ_section_title
;
 Metal&#x2212;Metal Bond Opening Toward Main Group&#x2212;Transition
 Element Rings
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5771
_journal_paper_doi               10.1021/om010649s
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C64 H60 N4 O14 Os6 Sb2'
_chemical_formula_weight         2493.86
_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                74.13
_cell_angle_beta                 79.3150(10)
_cell_angle_gamma                81.9800(10)
_cell_formula_units_Z            2
_cell_length_a                   14.7057(6)
_cell_length_b                   14.9592(6)
_cell_length_c                   19.3658(7)
_cell_measurement_reflns_used    7190
_cell_measurement_temperature    293(2)
_cell_volume                     4008.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.853
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28011
_diffrn_reflns_theta_full        29.29
_diffrn_reflns_theta_max         29.29
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    10.184
_exptl_absorpt_correction_T_max  0.279979
_exptl_absorpt_correction_T_min  0.135917
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2284
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.557
_refine_diff_density_min         -2.277
_refine_diff_density_rms         0.352
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         18688
_refine_ls_number_restraints     106
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0907P)^2^+38.3452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1681
_refine_ls_wR_factor_ref         0.1943
_reflns_number_gt                12874
_reflns_number_total             18688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010649s.cif
_cod_data_source_block           cz20
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4009.0(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4077429