<i>catena</i>-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]
Li, Yuanyuan; Liu, Jianmin; Li, Dacheng; Acta Crystallographica Section E 68 (2012) m169–; doi:10.1107/S1600536811055176

data_2233620
_publ_section_title
;
 <i>catena</i>-Poly[[trimethyltin(IV)]-\m-1,2,3-benzotriazol-1-ido-\k^2^<i>N</i>^1^:<i>N</i>^3^]
;
_journal_coeditor_code           RZ2693
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m169
_journal_paper_doi               10.1107/S1600536811055176
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Sn (C H3)3 (C6 H4 N3)]'
_chemical_formula_moiety         'C9 H13 N3 Sn'
_chemical_formula_sum            'C9 H13 N3 Sn'
_chemical_formula_weight         281.93
_chemical_name_systematic
;
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-1,2,3-benzotriazol-1-ido-
\k^2^<i>N</i>^1^:<i>N</i>^3^]
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8168(14)
_cell_length_b                   10.6687(9)
_cell_length_c                   7.3518(7)
_cell_measurement_reflns_used    2591
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.119
_cell_measurement_theta_min      2.25
_cell_volume                     1162.14(18)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5549
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    2.162
_exptl_absorpt_correction_T_max  0.5183
_exptl_absorpt_correction_T_min  0.4235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.492
_refine_ls_abs_structure_details 'Flack (1983), 801 Fiedel pairs'
_refine_ls_abs_structure_Flack   -0.11(13)
_refine_ls_extinction_coef       0.025(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     122
_refine_ls_number_reflns         1920
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0835P)^2^+1.6416P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.1368
_reflns_number_gt                1253
_reflns_number_total             1920
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2693.cif
_cod_data_source_block           I
_cod_database_code               2233620
_cod_database_fobs_code          2233620