<i>catena</i>-Poly[[[diaquazinc(II)]-bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4^]] bis(perchlorate)]
Yun Ling; Lei Zhang; Acta Crystallographica Section E 63 (2007) m4–m6; doi:10.1107/S1600536806049506

data_2211869
_publ_section_title
;<i>catena</i>-Poly[[[diaquazinc(II)]-bis[\m-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-\k^2^<i>N</i>^4^:<i>N</i>^4^]]
 bis(perchlorate)]
;
_journal_coeditor_code           KJ2034
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m4
_journal_page_last               m6
_journal_paper_doi               10.1107/S1600536806049506
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C13 H12 F2 N6 O)2 (H2 O)2] (Cl O4)2'
_chemical_formula_moiety         'C26 H28 F4 N12 O4 Zn 2+ , 2Cl1 O4 -'
_chemical_formula_sum            'C26 H28 Cl2 F4 N12 O12 Zn'
_chemical_formula_weight         912.87
_chemical_name_systematic
;
catena-Poly[[[diaquazinc(II)]-bis[\m-2-(2,4-difluorophenyl)-1,3-
bis(1,2,4-triazol-1-yl)propan-2-ol)-\k^2^N^4^:N^4^]] perchlorate]
;
_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                90.194(3)
_cell_angle_beta                 94.070(3)
_cell_angle_gamma                111.031(3)
_cell_formula_units_Z            1
_cell_length_a                   7.9134(17)
_cell_length_b                   9.986(2)
_cell_length_c                   11.494(3)
_cell_measurement_reflns_used    2716
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.73
_cell_measurement_theta_min      2.19
_cell_volume                     845.2(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0134
_diffrn_reflns_av_sigmaI/netI    0.0229
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4602
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.990
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.873293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.340
_refine_diff_density_min         -0.345
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         2952
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0269
_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^)+(0.0422P)^2^+0.2716P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                2658
_reflns_number_total             2952
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kj2034.cif
_cod_data_source_block           I
_cod_database_code               2211869
_cod_database_fobs_code          2211869