<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)zinc(II)]-μ-1,4-bis(1,2,4-triazol-1-yl)butane]
Liang Shen; Acta Crystallographica Section E 63 (2007) m3045–m3045; doi:10.1107/S1600536807051239

data_2216188
_publ_section_title
<i>catena</i>-Poly[[bis(thiocyanato-\k<i>N</i>)zinc(II)]-\m-1,4-bis(1,2,4-triazol-1-yl)butane]
_journal_coeditor_code           AT2425
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3045
_journal_page_last               m3045
_journal_paper_doi               10.1107/S1600536807051239
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (N C S)2 (C8 H12 N6)]'
_chemical_formula_moiety         'C10 H12 N8 S2 Zn'
_chemical_formula_sum            'C10 H12 N8 S2 Zn'
_chemical_formula_weight         373.76
_chemical_name_systematic
;
catena-Poly[[bis(thiocyanato-\kN)zinc(II)]-\m-1,4-bis(1,2,4-triazol-1-
yl)butane]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.893(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.1950(9)
_cell_length_b                   5.8261(2)
_cell_length_c                   18.8040(7)
_cell_measurement_reflns_used    5666
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      4.0
_cell_volume                     1634.68(13)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CrystalStructure (Rigaku/MSC, 2004)'
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>,  1996)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7229
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.763
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             760.00
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     96
_refine_ls_number_reflns         1867
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.002Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1317
_reflns_number_gt                1473
_reflns_number_total             1867
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            at2425.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2216188
_cod_database_fobs_code          2216188