Characterization of the Sterically Encumbered Terphenyl-Substituted Species 2,6-Trip2H3C6S̈n-Sn(Me)2C6H3-2,6-Trip2, an Unsymmetric, Group 14 Element, Methylmethylene, Valence Isomer of an Alkene, Its Related Lithium Derivative 2,6-Trip2H3C6(Me)2Sn-Sn(Li)(Me)C6H3-2,6-Trip2, and the Monomer Sn(t-Bu)C6H3-2,6-Trip2 (Trip = C6H2-2,4,6-i-Pr3)
Barrett E. Eichler; Philip P. Power; Inorganic Chemistry 39 (2000) 5444–5449; doi:10.1021/ic0005137

data_4321606
_publ_section_title
;
 Characterization of the Sterically Encumbered Terphenyl-Substituted
 Species 2,6-Trip2H3C6\"Sn-Sn(Me)2C6H3-2,6-Trip2, an Unsymmetric, Group 14
 Element, Methylmethylene, Valence Isomer of an Alkene, Its Related
 Lithium Derivative 2,6-Trip2H3C6(Me)2Sn-Sn(Li)(Me)C6H3-2,6-Trip2, and the
 Monomer Sn(t-Bu)C6H3-2,6-Trip2 (Trip = C6H2-2,4,6-i-Pr3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5444
_journal_page_last               5449
_journal_paper_doi               10.1021/ic0005137
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C78 H114 Li Sn2'
_chemical_formula_weight         1296.11
_chemical_name_common            Bert*Me2Sn-Sn(Li)Bert*Me.0.5hexane
_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                67.0830(10)
_cell_angle_beta                 74.6330(10)
_cell_angle_gamma                72.6540(10)
_cell_formula_units_Z            2
_cell_length_a                   14.4163(6)
_cell_length_b                   15.9717(7)
_cell_length_c                   19.0328(8)
_cell_measurement_reflns_used    4319
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.68
_cell_measurement_theta_min      2.28
_cell_volume                     3797.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL v. 5.10'
_computing_molecular_graphics    'XP, Bruker SHELXTL v. 5.10'
_computing_publication_material  'XCIF, Bruker SHELXTL v. 5.10'
_computing_structure_refinement  'XL, Bruker SHELXTL v. 5.10'
_computing_structure_solution    'XS, Bruker SHELXTL v. 5.10'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_sigmaI/netI    0.1347
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            55672
_diffrn_reflns_theta_full        31.64
_diffrn_reflns_theta_max         31.64
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        <0.01
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.9338
_exptl_absorpt_correction_T_min  0.8910
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;SADABS: an empirical absorption program by G. M. Sheldrick
 using the method described by Blessing, R. H.; Acta Cryst.
 A51, 1995, 33.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.847
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         24213
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.847
_refine_ls_R_factor_all          0.1149
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0640P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1337
_reflns_number_gt                13365
_reflns_number_total             24213
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0005137_2.cif
_cod_data_source_block           be28
_cod_original_formula_sum        'C78 H114 Li1 Sn2'
_cod_database_code               4321606