<i>catena</i>-Poly[zinc(II)-bis[μ-5-(2-aminophenyl)tetrazolato]-κ^3^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>N</i>^5^]
Wen, Xiao-Chun; Acta Crystallographica Section E 64 (2008) m1033–; doi:10.1107/S1600536808021946

data_2219160
_publ_section_title
<i>catena</i>-Poly[zinc(II)-bis[\m-5-(2-aminophenyl)tetrazolato]-\k^3^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^;\k^3^<i>N</i>^2^:<i>N</i>^1^,<i>N</i>^5^]
_journal_coeditor_code           RZ2234
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1033
_journal_paper_doi               10.1107/S1600536808021946
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Zn (C7 H6 N5)2]'
_chemical_formula_moiety         'C14 H12 N10 Zn'
_chemical_formula_sum            'C14 H12 N10 Zn'
_chemical_formula_weight         385.71
_chemical_name_systematic
;
<i>catena</i>-Poly[zinc(II)-bis[\m-5-(2-aminophenyl)tetrazolato]-
\k^3^N^1^,N^5^:N^2^;\k^3^N^2^:N^1^,N^5^]
;
_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'
_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                 94.972(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.6751(16)
_cell_length_b                   10.9051(14)
_cell_length_c                   25.321(5)
_cell_measurement_reflns_used    3668
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.4680
_cell_measurement_theta_min      3.0369
_cell_volume                     2936.6(8)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL/PC (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Mercury2'
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            14618
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    1.696
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.701
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0376
_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^)+(0.0386P)^2^+3.3164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0920
_reflns_number_gt                2859
_reflns_number_total             3343
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2234.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2219160
_cod_database_fobs_code          2219160