Aquachloridotriphenyltin(IV)‒2-[1-(4-pyridylmethyl)-1<i>H</i>-imidazol-2-yl]pyridine (1/1)
Shun-Li Li; Guang-Ju Ping; Jian-Fang Ma; Acta Crystallographica Section E 63 (2007) m2830–m2830; doi:10.1107/S1600536807052695

data_2215763
_publ_section_title
;Aquachloridotriphenyltin(IV)--2-[1-(4-pyridylmethyl)-1<i>H</i>-imidazol-2-yl]pyridine
 (1/1)
;
_journal_coeditor_code           BG2120
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2830
_journal_page_last               m2830
_journal_paper_doi               10.1107/S1600536807052695
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C6 H5)3 Cl (H2O)] , C14 H12 N4'
_chemical_formula_moiety         'C18 H17 Cl O Sn , C14 H12 N4'
_chemical_formula_sum            'C32 H29 Cl N4 O Sn'
_chemical_formula_weight         639.73
_chemical_name_systematic
;Aquachloridotriphenyltin(IV)--2-[1-(4-pyridylmethyl)-1H-imidazol-2-yl]pyridine
(1/1)
;
_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           SHELXL97
_cell_angle_alpha                89.945(4)
_cell_angle_beta                 71.953(3)
_cell_angle_gamma                79.463(3)
_cell_formula_units_Z            2
_cell_length_a                   10.643(2)
_cell_length_b                   11.165(2)
_cell_length_c                   13.196(3)
_cell_measurement_reflns_used    9072
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.63
_cell_volume                     1463.2(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker 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     0.71069
_diffrn_reflns_av_R_equivalents  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9072
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.63
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_T_max  0.76
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.416
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         6576
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0406
_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^)+(0.0226P)^2^+0.8978P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                4836
_reflns_number_total             6576
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2120.cif
_cod_data_source_block           I
_cod_database_code               2215763
_cod_database_fobs_code          2215763