Characterization of a Plumbylplumbylene: An Isomeric Form of a “Diplumbene”
Hino, Shirley; Olmstead, Marilyn M.; Power, Philip P.; Organometallics 24 (2005) 5484–; doi:10.1021/om050482t

data_4076032
_publ_section_title
;
 Characterization of a Plumbylplumbylene:&#x00A0; An Isomeric Form of a
 &#x201C;Diplumbene&#x201D;
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5484
_journal_paper_doi               10.1021/om050482t
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C72 H96 Pb2, C6 H6'
_chemical_formula_sum            'C78 H102 Pb2'
_chemical_formula_weight         1453.98
_chemical_name_common            Bert*Pb(II)Pb(IV)Bert*.benzene
_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                75.798(2)
_cell_angle_beta                 84.570(2)
_cell_angle_gamma                64.935(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2208(13)
_cell_length_b                   13.6627(14)
_cell_length_c                   22.913(2)
_cell_measurement_reflns_used    8414
_cell_measurement_temperature    86(2)
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      2.4
_cell_volume                     3359.4(6)
_computing_cell_refinement       'SAINT (Bruker, 2004)''
_computing_data_collection       'Apex2 (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      86(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       \w
_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  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0308
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            38144
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.046
_exptl_absorpt_correction_T_max  0.688
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1468
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.957
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     743
_refine_ls_number_reflns         15395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0234P)^2^+2.1460P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0525
_reflns_number_gt                13113
_reflns_number_total             15395
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om050482tsi20050610_031023.cif
_cod_data_source_block           mn1638
_cod_database_code               4076032