[μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane-κ^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-κ<i>N</i>)tin(IV)]
Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng; Acta Crystallographica Section E 68 (2012) m1550–; doi:10.1107/S160053681204737X

data_2237083
_publ_section_title
;
 [\m-1,2,3,4-Tetrakis(pyridin-4-yl)butane-\k^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-\k<i>N</i>)tin(IV)]
;
_journal_coeditor_code           XU5652
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1550
_journal_paper_doi               10.1107/S160053681204737X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Sn2 (C H3)6 (N C S)2 (C24 H22 N4)]'
_chemical_formula_moiety         'C32 H40 N6 S2 Sn2'
_chemical_formula_sum            'C32 H40 N6 S2 Sn2'
_chemical_formula_weight         810.20
_chemical_name_systematic
;
[\m-1,2,3,4-Tetrakis(pyridin-4-yl)butane-
\k^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-\k<i>N</i>)tin(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                90.388(7)
_cell_angle_beta                 94.381(7)
_cell_angle_gamma                103.646(7)
_cell_formula_units_Z            1
_cell_length_a                   9.2959(8)
_cell_length_b                   9.7210(7)
_cell_length_c                   10.2448(9)
_cell_measurement_reflns_used    3676
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5012
_cell_measurement_theta_min      2.8944
_cell_volume                     896.72(13)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Agilent SuperNova Dual diffractometer with an Atlas detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8527
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.90
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.538
_exptl_absorpt_correction_T_max  0.9270
_exptl_absorpt_correction_T_min  0.6997
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2012)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             406
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.499
_refine_diff_density_min         -0.516
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         4153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+0.1997P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                3645
_reflns_number_total             4153
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5652.cif
_cod_data_source_block           I
_cod_database_code               2237083
_cod_database_fobs_code          2237083