Tetrabutylbis[3-(4-methoxyphenyl)-2-phenyl-2-propenoato]distannoxane dimer
Parvez, Masood; Sadiq-ur-Rehman; Shahid, Khadija; Ali, Saqib; Mazhar, Muhammad; Acta Crystallographica Section E 60 (2004) m1465–m1467; doi:10.1107/S1600536804022950

data_2204368
_publ_section_title
;
 Tetrabutylbis[3-(4-methoxyphenyl)-2-phenyl-2-propenoato]distannoxane
 dimer
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1465
_journal_page_last               m1467
_journal_paper_doi               10.1107/S1600536804022950
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Sn4 (C4 H9)8 (C17 H15 O2)4 O2]'
_chemical_formula_moiety         'C96 H124 O14 Sn4'
_chemical_formula_sum            'C96 H124 O14 Sn4'
_chemical_formula_weight         1976.72
_chemical_melting_point          .376E-305
_chemical_name_common            'dimeric distannoxane'
_chemical_name_systematic
;
bis[\m~2~-3-(4-methoxyphenyl)-2-phenyl-2-propenoato]bis[3-(4-methoxyphenyl)-
2-phenyl-2-propenoato]di-\m~3~oxo-tetrakis[dibutyltin(IV)]
;
_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
_cell_angle_alpha                92.490(11)
_cell_angle_beta                 96.820(11)
_cell_angle_gamma                118.531(8)
_cell_formula_units_Z            1
_cell_length_a                   12.971(2)
_cell_length_b                   13.429(3)
_cell_length_c                   15.088(3)
_cell_measurement_reflns_used    43035
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.7
_cell_volume                     2277.5(8)
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w and \f'
_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  0.084
_diffrn_reflns_av_sigmaI/netI    0.091
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43035
_diffrn_reflns_theta_full        28.3
_diffrn_reflns_theta_max         28.3
_diffrn_reflns_theta_min         2.7
_exptl_absorpt_coefficient_mu    1.15
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         11049
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.100
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.031P)^2^+2.28P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.082
_refine_ls_wR_factor_ref         0.097
_reflns_number_gt                7022
_reflns_number_total             11049
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6275.cif
_cod_data_source_block           I
_cod_database_code               2204368
_cod_database_fobs_code          2204368