A three-dimensional Zn^II^ coordination framework: poly[[μ~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][μ~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]
Yu, Cai-Xia; Zhao, Feng; Zhou, Min; Zhi, Dan-Feng; Liu, Lei-Lei; Acta Crystallographica Section C 70 (2014) 277–280; doi:10.1107/S2053229614001077

data_2019494
_publ_section_title
;
 A three-dimensional Zn^II^ coordination framework:
 poly[[\m~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][\m~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][\m~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]
;
_journal_coeditor_code           YP3058
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              277
_journal_page_last               280
_journal_paper_doi               10.1107/S2053229614001077
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Zn (C14 H8 N2 O4)2 (C12 H10 N2)]'
_chemical_formula_moiety         'C20 H13 N3 O4 Zn'
_chemical_formula_sum            'C20 H13 N3 O4 Zn'
_chemical_formula_weight         424.70
_chemical_name_systematic
Poly[[\m~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][\m~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][\m~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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           SHELXL2013
_cell_angle_alpha                93.81(3)
_cell_angle_beta                 105.48(3)
_cell_angle_gamma                114.03(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1153(16)
_cell_length_b                   9.3797(19)
_cell_length_c                   13.350(3)
_cell_measurement_reflns_used    1231
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.78
_cell_measurement_theta_min      2.43
_cell_volume                     876.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics
;
XP (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
SHELXL2013 (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7799
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.392
_diffrn_reflns_theta_min         1.615
_exptl_absorpt_coefficient_mu    1.434
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_correction_T_min  0.773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.495
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4330
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0443P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0960
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                2925
_reflns_number_total             4330
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yp3058sup1.cf
_cod_data_source_block           I
_cod_database_code               2019494
_cod_database_fobs_code          2019494
_shelx_estimated_absorpt_t_min   0.673
_shelx_estimated_absorpt_t_max   0.814
_shelx_hkl_checksum              20764
_shelx_res_checksum              81007
_shelxl_version_number           20.13