A fourfold interpenetrating diamondoid three-dimensional coordination polymer: poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]
Wang, Guan-Hua; Lei, Yong-Qian; Acta Crystallographica Section C 69 (2013) 360–362; doi:10.1107/S0108270113005143

data_2018929
_publ_section_title
;
 A fourfold interpenetrating diamondoid three-dimensional coordination
 polymer:
 poly[[[\m~2~-1,2-bis(pyridin-4-yl)ethene-\k^2^<i>N</i>:<i>N</i>'](\m~2~-5-hydroxyisophthalato-\k^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]
 1,2-bis(pyridin-4-yl)ethene hemisolvate]
;
_journal_coeditor_code           SK3465
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              360
_journal_page_last               362
_journal_paper_doi               10.1107/S0108270113005143
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Zn (C8 H4 O5) (C12 H10 N2)], 0.5C12 H10 N2'
_chemical_formula_moiety         'C20 H14 N2 O5 Zn, 0.5(C12 H10 N2)'
_chemical_formula_sum            'C26 H19 N3 O5 Zn'
_chemical_formula_weight         518.81
_chemical_name_systematic
;Poly[[[\m~2~-1,2-bis(pyridin-4-yl)ethene-\k^2^<i>N</i>:<i>N</i>'](\m~2~-5-hydroxyisophthalato-\k^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]
1,2-bis(pyridin-4-yl)ethene hemisolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.683(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8286(17)
_cell_length_b                   13.0650(19)
_cell_length_c                   13.8347(19)
_cell_measurement_reflns_used    877
_cell_measurement_temperature    184.5(2)
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      2.25
_cell_volume                     2262.2(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      184.5(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0944
_diffrn_reflns_av_sigmaI/netI    0.1273
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12463
_diffrn_reflns_theta_full        26.06
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.130
_exptl_absorpt_correction_T_max  0.9170
_exptl_absorpt_correction_T_min  0.8810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.363
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4463
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1575
_refine_ls_R_factor_gt           0.0849
_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^)+(0.0526P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1369
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                2473
_reflns_number_total             4463
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3465.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2018929
_cod_database_fobs_code          2018929