<i>trans</i>-(2-Acetylpyridine-κ<i>N</i> 2-furylhydrazonato-κ^2^<i>N</i>^1^,<i>O</i>)dichlorophenyltin(IV) dichloromethane solvate
Sousa, Gerimário F. de; Hernández-Ortega, Simón; Jancik, Vojtech; Valdés-Martínez, Jesús; Acta Crystallographica Section E 62 (2006) m819–m821; doi:10.1107/S1600536806009457

data_2208620
_publ_section_title
;
 <i>trans</i>-(2-Acetylpyridine-\k<i>N</i>
 2-furylhydrazonato-\k^2^<i>N</i>^1^,<i>O</i>)dichlorophenyltin(IV)
 dichloromethane solvate
;
_journal_coeditor_code           HK2009
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m819
_journal_page_last               m821
_journal_paper_doi               10.1107/S1600536806009457
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C12 H10 N3 O2) Cl2 (C6 H5)], C H2 Cl2'
_chemical_formula_moiety         'C18 H15 Cl2 N3 O2 Sn, C H2 Cl2'
_chemical_formula_sum            'C19 H17 Cl4 N3 O2 Sn'
_chemical_formula_weight         579.85
_chemical_name_systematic
;trans-(2-Acetylpyridine-\kN
 2-furylhydrazonato-\k^2^N^1^,O)dichlorophenyltin(IV)
dichloromethane solvate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.116(2)
_cell_length_b                   12.050(3)
_cell_length_c                   11.113(3)
_cell_measurement_reflns_used    5481
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      30.77
_cell_measurement_theta_min      2.39
_cell_volume                     1141.9(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material
'SHELXL97, enCIFer (Allen <i>et al.</i>,  2004) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 0.66
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       \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  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9381
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.39
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.607
_exptl_absorpt_correction_T_max  0.9274
_exptl_absorpt_correction_T_min  0.7047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.309
_refine_ls_abs_structure_details 'Flack (1983), 1888 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         3998
_refine_ls_number_restraints     199
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0367
_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^)+(0.0412P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                3737
_reflns_number_total             3998
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2009.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2208620
_cod_database_fobs_code          2208620