Stannylplumbylenes: bonding between tetravalent tin and divalent lead
Drost, Christian; Lönnecke, Peter; Sieler, Joachim; Chemical Communications (Cambridge, United Kingdom) 48 (2012) 3778–3780; doi:10.1039/c2cc30687e

data_7107551
_publ_section_title
;
 Stannylplumbylenes: bonding between tetravalent tin and divalent lead
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   31
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              3778
_journal_page_last               3780
_journal_paper_doi               10.1039/c2cc30687e
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C72 H102 O12 Pb Sn2 , 3(C6 H6) '
_chemical_formula_sum            'C90 H120 O12 Pb Sn2'
_chemical_formula_weight         1838.43
_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                96.850(3)
_cell_angle_beta                 102.309(3)
_cell_angle_gamma                109.506(3)
_cell_formula_units_Z            2
_cell_length_a                   12.272(2)
_cell_length_b                   15.377(3)
_cell_length_c                   25.439(4)
_cell_measurement_reflns_used    1235
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     4325.4(13)
_computing_cell_refinement       'SAINT (BRUKER AXS)'
_computing_data_collection       'SMART (Bruker AXS)'
_computing_data_reduction        'SAINT (BRUKER AXS)'
_computing_molecular_graphics    'ORTEP for Windows (L.J.Farrugia'
_computing_publication_material  'WINGX (L.J.Farrugia'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'SMART CCD-Diffractometer (BRUKER AXS)'
_diffrn_measurement_method       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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            53958
_diffrn_reflns_theta_full        29.03
_diffrn_reflns_theta_max         29.03
_diffrn_reflns_theta_min         0.84
_exptl_absorpt_coefficient_mu    2.572
_exptl_absorpt_correction_T_max  0.7830
_exptl_absorpt_correction_T_min  0.6273
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
G.M.Sheldrick (1996) Program for Absorption Correction
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.736
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         22639
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0292
_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^)+(0.0349P)^2^+0.5189P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                17703
_reflns_number_total             22639
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc30687e_2.txt
_cod_data_source_block           c1388
_cod_original_cell_volume        4325.5(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7107551