Tris(4-tert-butylphenyl)chlorotin(IV)
Wharf, I.; Simard, M. G.; McGinn, K.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 236–238; doi:10.1107/S010827019400987X

data_2010439
_publ_section_title
;
 Tris(4-tert-butylphenyl)chlorotin(IV)
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           BK1044
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              236
_journal_page_last               238
_journal_paper_doi               10.1107/S010827019400987X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C30 H39 Cl1 Sn1'
_chemical_formula_sum            'C30 H39 Cl Sn'
_chemical_formula_weight         553.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_type_scat_source
; Cromer & Mann (1968) for non-H atoms and Stewart, Davidson
 & Simpson (1965) for H atoms.
;
_cell_angle_alpha                90.
_cell_angle_beta                 112.357(14)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   20.503(3)
_cell_length_b                   13.436(2)
_cell_length_c                   22.916(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      50.0
_cell_measurement_theta_min      40.0
_cell_volume                     5838.3(16)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q [\D\w = (1.00 + 0.14tan\q)\%]'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            21189
_diffrn_reflns_theta_max         70.0
_diffrn_standards_decay_%        '6.5 to --9.5'
_diffrn_standards_interval_time  60
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    8.07
_exptl_absorpt_correction_T_max  0.43
_exptl_absorpt_correction_T_min  0.16
_exptl_absorpt_correction_type   'Gaussian integration (20 x 20 x 20)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_description       parallepiped
_exptl_crystal_size_max          '0.30 (11\=1,\=1\=11)'
_exptl_crystal_size_mid          '0.28 (\=111,1\=1\=1)'
_exptl_crystal_size_min          '0.13 (011,00\=1)'
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.88
_refine_ls_extinction_coef       0.25(3)
_refine_ls_goodness_of_fit_obs   2.94
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3647
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.13
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'w = 1/[\s^2^(F) + 0.0001F^2^]'
_refine_ls_wR_factor_obs         0.054
_reflns_number_observed          3647
_reflns_number_total             5530
_reflns_observed_criterion       'I >= 3\s(I)'
_cod_duplicate_entry             2003190
_cod_depositor_comments
;
 Adding additional information after consulting the original
 supplementary material.

 Antanas Vaitkus,
 2018-08-13
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C30 H39 Cl1 Sn1'
_cod_database_code               2010439