Agostic-Type B−H···Pb Interactions Stabilize a Dialkylplumbylene. Structure of and Bonding in [{nPr2P(BH3)}(Me3Si)C(CH2)]2Pb
Izod, Keith; McFarlane, William; Wills, Corinne; Clegg, William; Harrington, Ross W.; Organometallics 27 (2008) 4386–; doi:10.1021/om800598b

data_4072118
_publ_section_title
;
 Agostic-Type B&#x2212;H&#x00B7;&#x00B7;&#x00B7;Pb Interactions Stabilize
 a Dialkylplumbylene. Structure of and Bonding in
 [{nPr2P(BH3)}(Me3Si)C(CH2)]2Pb
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4386
_journal_paper_doi               10.1021/om800598b
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C22 H56 B2 P2 Pb Si2'
_chemical_formula_sum            'C22 H56 B2 P2 Pb Si2'
_chemical_formula_weight         667.60
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.861(1)
_cell_angle_beta                 93.528(1)
_cell_angle_gamma                114.037(1)
_cell_formula_units_Z            4
_cell_length_a                   11.4623(8)
_cell_length_b                   14.0466(12)
_cell_length_c                   22.4174(15)
_cell_measurement_reflns_used    9531
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.9
_cell_volume                     3183.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'thin-slice \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28521
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.484
_exptl_absorpt_correction_T_max  0.407
_exptl_absorpt_correction_T_min  0.257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.637
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         14842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0262P)^2^+2.6049P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                12686
_reflns_number_total             14842
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om800598b_si_002.cif
_cod_data_source_block           ki300_meso-10
_cod_database_code               4072118