Chloro{μ-2-[(<i>E</i>)-1-(2-oxido-3-methylphenyl)ethylideneamino]acetato}pentaphenylditin(IV)
Linden, Anthony; Basu Baul, Tushar S.; Masharing, Cheerfulman; Acta Crystallographica Section E 61 (2005) m557–m559; doi:10.1107/S1600536805004666

data_2205310
_publ_section_title
Chloro{\m-2-[(<i>E</i>)-1-(2-oxido-3-methylphenyl)ethylideneamino]acetato}pentaphenylditin(IV)
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m557
_journal_page_last               m559
_journal_paper_doi               10.1107/S1600536805004666
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Sn2 (C6 H5)5 (C5 H11 N O3) Cl]'
_chemical_formula_moiety         'C41 H36 Cl N O3 Sn2'
_chemical_formula_sum            'C41 H36 Cl N O3 Sn2'
_chemical_formula_weight         863.39
_chemical_name_systematic
;
Chloro{\m-2-[(E)-1-(2-oxido-3-
methylphenyl)ethylideneamino]acetato}pentaphenylditin(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.5066(9)
_cell_angle_beta                 90.6470(9)
_cell_angle_gamma                115.4904(9)
_cell_formula_units_Z            2
_cell_length_a                   11.6984(2)
_cell_length_b                   13.0662(2)
_cell_length_c                   13.9410(3)
_cell_measurement_reflns_used    47226
_cell_measurement_temperature    160.0(10)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.0
_cell_volume                     1752.94(6)
_computing_cell_refinement       'DENZO--SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      160.0(10)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w scans with \k offsets'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'Nonius FR590 sealed tube generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            57965
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.540
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.288
_refine_diff_density_min         -1.056
_refine_ls_extinction_coef       0.0045(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         10271
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0445
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+10.8098P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                8257
_reflns_number_total             10272
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6366.cif
_cod_data_source_block           I
_cod_database_code               2205310
_cod_database_fobs_code          2205310