The first example of a dinuclear organotin complex with a C~2~N~2~S~2~Sn~2~ planar dicyclo fragment
Fang, Xiao-Niu; Wu, Jian-Hong; Sui, Yan; Hu, Ping; Hu, Rong-Hua; Acta Crystallographica Section E 63 (2007) m1525–m1526; doi:10.1107/S1600536807020090

data_2213387
_publ_section_title
;
 The first example of a dinuclear organotin complex with a
 C~2~N~2~S~2~Sn~2~ planar dicyclo fragment
;
_journal_coeditor_code           HG2228
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1525
_journal_page_last               m1526
_journal_paper_doi               10.1107/S1600536807020090
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Sn2 (C4 H9)4 Cl2 (C18 H18 N6 O2 S2)], 2C17 H18 N4 O2 S, 2C2 H6 O1'
_chemical_formula_moiety
'C34 H54 Cl2 N6 O2 S2 Sn2, 2(C17 H18 N4 O2 S), 2(C2 H6 O)'
_chemical_formula_sum            'C72 H102 Cl2 N14 O8 S4 Sn2'
_chemical_formula_weight         1728.20
_chemical_name_systematic
;
2,2,6,6-Tetra-n-butyl-2,6-dichloro-4,8-
bis{[(1E)-4-methoxybenzylidene]hydrazino}-
1,5-diaza-2,6-distanna-3,7-dithiabicyclo[3.3.0]octane
1,5-bis[(1E)-4-methoxybenzylidene]thiocarbonohydrazide
ethanol solvate
;
_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                81.4390(10)
_cell_angle_beta                 85.3500(10)
_cell_angle_gamma                70.5210(10)
_cell_formula_units_Z            1
_cell_length_a                   8.9295(6)
_cell_length_b                   10.3932(7)
_cell_length_c                   24.015(2)
_cell_measurement_reflns_used    9573
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.16
_cell_volume                     2076.6(3)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  'APEX2 and publCIF (Westrip, 2007)'
_computing_structure_refinement  APEX2
_computing_structure_solution    APEX2
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.923
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'Bruker APEX II 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  0.0139
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            13116
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.825
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             894
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.389
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         7145
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0304
_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^)+(0.0547P)^2^+0.6928P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                6432
_reflns_number_total             7145
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2228.cif
_cod_data_source_block           I
_cod_database_code               2213387
_cod_database_fobs_code          2213387