Di-μ~2~-methoxo-bis[benzyl(5-chloro-2-oxidobenzaldehyde thiosemicarbazonato)tin(IV)]
Sarma, Moumita Sen; Ellis, Carol A.; Moitra, Nirmalya; Roy, Abhijit; Tiekink, Edward R. T.; Acta Crystallographica Section E 62 (2006) m2067–m2069; doi:10.1107/S1600536806029709

data_2210337
_publ_section_title
;
 Di-\m~2~-methoxo-bis[benzyl(5-chloro-2-oxidobenzaldehyde
 thiosemicarbazonato)tin(IV)]
;
_journal_coeditor_code           NG2050
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2067
_journal_page_last               m2069
_journal_paper_doi               10.1107/S1600536806029709
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn2 (C7 H7)2 (C8 H6 Cl N3 O S)2 (C H3 O)2]'
_chemical_formula_moiety         'C32 H32 Cl2 N6 O4 S2 Sn2'
_chemical_formula_sum            'C32 H32 Cl2 N6 O4 S2 Sn2'
_chemical_formula_weight         937.04
_chemical_name_systematic
;
Di-\m~2~-methoxo-bis[benzyl(5-chloro-2-oxidobenzaldehyde
thiosemicarbazonato)tin(IV)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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
_cell_angle_beta                 117.367(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.617(7)
_cell_length_b                   13.484(4)
_cell_length_c                   12.430(4)
_cell_measurement_reflns_used    5633
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      6.3
_cell_volume                     1729.2(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Crystal Impact, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku AFC12\K/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_av_sigmaI/netI    0.022
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            44284
_diffrn_reflns_theta_full        27.6
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         6.33
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.767
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.22
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3906
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.22
_refine_ls_R_factor_all          0.050
_refine_ls_R_factor_gt           0.050
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0396P)^2^+5.0883P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.117
_refine_ls_wR_factor_ref         0.117
_reflns_number_gt                3887
_reflns_number_total             3906
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2050.cif
_cod_data_source_block           I
_cod_original_cell_volume        1729.1(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2210337
_cod_database_fobs_code          2210337