μ-Fumarato-κ^2^<i>O</i>:<i>O</i>'-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]
Liu, Xi-Cheng; Yin, Ling; Sun, Yu-Xi; Tian, Lai-Jin; Acta Crystallographica Section E 63 (2007) m1758–m1758; doi:10.1107/S1600536807024543

data_2213811
_publ_section_title
\m-Fumarato-\k^2^<i>O</i>:<i>O</i>'-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]
_journal_coeditor_code           HB2424
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1758
_journal_page_last               m1758
_journal_paper_doi               10.1107/S1600536807024543
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn2 (C10 H13)6 (C4 H2 O4)]'
_chemical_formula_moiety         'C64 H80 O4 Sn2'
_chemical_formula_sum            'C64 H80 O4 Sn2'
_chemical_formula_weight         1150.66
_chemical_name_systematic
;
\m-Fumarato-\k^2^O,O'-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.9850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6017(9)
_cell_length_b                   18.6352(18)
_cell_length_c                   16.5097(16)
_cell_measurement_reflns_used    4827
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      22.32
_cell_measurement_theta_min      2.47
_cell_volume                     2952.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(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       '\f and \w'
_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  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23553
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.890
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.399
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         6102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0466P)^2^+0.84P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1009
_reflns_number_gt                4565
_reflns_number_total             6102
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2424.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2213811
_cod_database_fobs_code          2213811