New Pb?Pb bonds: syntheses and molecular structures of hexabiphenyldiplumbane and tri(trisbiphenylplumbyl)plumbate
Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Yang, Xiao-Juan; Robinson, Gregory H.; Chemical Communications  (2004) 2224–2225; doi:10.1039/b408860n

data_7111409
_publ_section_title
;
 New Pb?Pb bonds: syntheses and molecular structures of
 hexabiphenyldiplumbane and tri(trisbiphenylplumbyl)plumbate
;
_journal_issue                   19
_journal_name_full               'Chemical Communications'
_journal_page_first              2224
_journal_page_last               2225
_journal_paper_doi               10.1039/b408860n
_journal_year                    2004
_chemical_formula_sum            'C148 H147 Cl3 Mg2 O7 Pb4'
_chemical_formula_weight         3021.39
_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                77.520(4)
_cell_angle_beta                 85.906(4)
_cell_angle_gamma                67.523(3)
_cell_formula_units_Z            2
_cell_length_a                   19.222(3)
_cell_length_b                   19.329(3)
_cell_length_c                   20.958(3)
_cell_measurement_temperature    273(2)
_cell_volume                     7024.7(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.899
_diffrn_measured_fraction_theta_max 0.899
_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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0738
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36205
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    4.897
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2988
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1332
_refine_ls_number_reflns         22212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1273
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          13.916
_refine_ls_shift/su_mean         0.255
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0720P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                10962
_reflns_number_total             22212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b408860nsup1.cif
_cod_data_source_block           sad_2
_cod_original_cell_volume        7024.5(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7111409