Facile Access of Well-Defined Stable Divalent Lead Compounds with Small Organic Substituents
Jana, Anukul; Sarish, Sankaranarayana Pillai; Roesky, Herbert W.; Schulzke, Carola; Döring, Alexander; John, Michael; Organometallics 28 (2009) 2563–; doi:10.1021/om801167c

data_4068933
_publ_section_title
;
 Facile Access of Well-Defined Stable Divalent Lead Compounds with Small
 Organic Substituents
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2563
_journal_paper_doi               10.1021/om801167c
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C30 H41 F3 N2 O3 Pb S'
_chemical_formula_weight         773.90
_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                105.80(3)
_cell_angle_beta                 100.97(3)
_cell_angle_gamma                93.75(3)
_cell_formula_units_Z            8
_cell_length_a                   12.684(3)
_cell_length_b                   24.602(5)
_cell_length_c                   25.044(5)
_cell_measurement_reflns_used    58828
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      51.8
_cell_measurement_theta_min      2.8
_cell_volume                     7325(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  IPDSII
_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  0.0706
_diffrn_reflns_av_sigmaI/netI    0.1086
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            58828
_diffrn_reflns_theta_full        25.89
_diffrn_reflns_theta_max         25.89
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    4.706
_exptl_absorpt_correction_T_max  0.7387
_exptl_absorpt_correction_T_min  0.5092
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.140
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1484
_refine_ls_number_reflns         28118
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.890
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0485P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                16894
_reflns_number_total             28118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801167c_si_001.cif
_cod_data_source_block           ja29
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4068933