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_4321605
_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            'C40 H58 Sn'
_chemical_formula_weight         657.55
_chemical_melting_point          113
_chemical_name_common            Bert*Sn(t-Bu)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 106.9000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.1821(13)
_cell_length_b                   9.5744(4)
_cell_length_c                   24.7577(10)
_cell_measurement_reflns_used    9542
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.67
_cell_measurement_theta_min      2.23
_cell_volume                     7299.0(5)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0601
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            81158
_diffrn_reflns_theta_full        31.52
_diffrn_reflns_theta_max         31.52
_diffrn_reflns_theta_min         1.32
_diffrn_standards_decay_%        <0.01
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.8868
_exptl_absorpt_correction_T_min  0.8807
_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            purple-red
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shard
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.163
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         11794
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0416P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                8029
_reflns_number_total             11794
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0005137_1.cif
_cod_data_source_block           be23
_cod_database_code               4321605