[μ-2,2'-Dimethyl-2,2'-(<i>p</i>-phenylene)dipropyl]bis[chloridobis(2-methyl-2-phenylpropyl)tin(IV)]
Sun, Chunliu; Liang, Chong; Kang, Wanli; Zhu, Dongsheng; Acta Crystallographica Section E 66 (2010) m495–; doi:10.1107/S1600536810011670

data_2225949
_publ_section_title
;
 [\m-2,2'-Dimethyl-2,2'-(<i>p</i>-phenylene)dipropyl]bis[chloridobis(2-methyl-2-phenylpropyl)tin(IV)]
;
_journal_coeditor_code           PB2026
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m495
_journal_paper_doi               10.1107/S1600536810011670
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn2 (C10 H13)4 (C14 H20) Cl2]'
_chemical_formula_moiety         'C54 H72 Cl2 Sn2 '
_chemical_formula_sum            'C54 H72 Cl2 Sn2'
_chemical_formula_weight         1029.40
_chemical_melting_point          ?
_chemical_name_systematic
;
[\m-2,2'-Dimethyl-2,2'-(<i>p</i>-phenylene)dipropyl]bis[chloridobis(2-\
methyl-2-phenylpropyl)tin(IV)]
;
_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                 94.674(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0769(19)
_cell_length_b                   17.773(2)
_cell_length_c                   18.914(2)
_cell_measurement_reflns_used    4976
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.77
_cell_volume                     5051.4(10)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL-Plus (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0732
_diffrn_reflns_av_sigmaI/netI    0.0936
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14065
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.128
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.3400
_exptl_crystal_size_mid          0.3200
_exptl_crystal_size_min          0.2900
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.418
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4976
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0563
_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^)+(0.0390P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                3284
_reflns_number_total             4976
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            pb2026.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
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_cod_original_cell_volume        5051.4(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2225949
_cod_database_fobs_code          2225949