<i>n</i>-Butyldichlorido(2-{(1<i>E</i>)-1-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethyl}phenolato)tin(IV)
Affan, Md. Abu; Chee, Dayang N. A.; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T.; Acta Crystallographica Section E 66 (2010) m1412–m1413; doi:10.1107/S1600536810040572

data_2227564
_publ_section_title
;
 <i>n</i>-Butyldichlorido(2-{(1<i>E</i>)-1-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethyl}phenolato)tin(IV)
;
_journal_coeditor_code           HB5679
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1412
_journal_page_last               m1413
_journal_paper_doi               10.1107/S1600536810040572
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C4 H9) (C13 H12 N3 O) Cl2]'
_chemical_formula_moiety         'C17 H21 Cl2 N3 O Sn'
_chemical_formula_sum            'C17 H21 Cl2 N3 O Sn'
_chemical_formula_weight         472.96
_chemical_name_systematic
;
<i>n</i>-Butyldichlorido(2-{(1<i>E</i>)-1-[2-(pyridin-2-yl)hydrazin-1-
ylidene]ethyl}phenolato)tin(IV)
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 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                 110.5670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9566(6)
_cell_length_b                   21.0210(13)
_cell_length_c                   10.3974(7)
_cell_measurement_reflns_used    6860
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.3
_cell_volume                     1832.8(2)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
'PLATON (Spek, 2009) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\w scans'
_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  0.032
_diffrn_reflns_av_sigmaI/netI    0.050
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17203
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.695
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.28
_refine_diff_density_min         -1.21
_refine_ls_abs_structure_details 'Flack (1983), 4006 Friedel pairs'
_refine_ls_abs_structure_Flack   0.00(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8239
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.049
_refine_ls_R_factor_gt           0.042
_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^)+(0.0471P)^2^+7.3356P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.100
_refine_ls_wR_factor_ref         0.108
_reflns_number_gt                7357
_reflns_number_total             8239
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5679.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               2227564
_cod_database_fobs_code          2227564