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_7107549
_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_sum            'C51 H75 O8 Pb Sn'
_chemical_formula_weight         1141.99
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.596(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.9800(17)
_cell_length_b                   12.5178(6)
_cell_length_c                   31.719(2)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      1.95
_cell_volume                     10618.5(11)
_computing_cell_refinement       'STOE IPDS software'
_computing_data_collection       'STOE IPDS software'
_computing_data_reduction        'STOE IPDS software, STOE X-RED'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Stoe IPDS area detector'
_diffrn_measurement_method       '\f 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  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0769
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            61579
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    3.684
_exptl_absorpt_correction_T_max  0.4791
_exptl_absorpt_correction_T_min  0.3565
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE X-RED Software'
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4616
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.052
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.733
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1168
_refine_ls_number_reflns         18514
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      0.735
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0296
_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^)+(0.0269P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0608
_reflns_number_gt                11308
_reflns_number_total             18514
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc30687e_2.txt
_cod_data_source_block           s047_fin
_cod_original_cell_volume        10618.3(11)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7107549