A two-dimensional bilayered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid
Liu, Lei-Lei; Zhou, Yan; Li, Ping; Tian, Jiang-Ya; Acta Crystallographica Section C 70 (2014) 178–181; doi:10.1107/S2053229613034591

data_2019396
_publ_section_title
;
 A two-dimensional bilayered Cd^II^ coordination polymer with a
 three-dimensional supramolecular architecture incorporating
 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid
;
_journal_coeditor_code           FN3160
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              178
_journal_page_last               181
_journal_paper_doi               10.1107/S2053229613034591
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Cd (C14 H8 N2 O4) (C12 H10 N2)]'
_chemical_formula_moiety         'C26 H18 Cd N4 O4'
_chemical_formula_sum            'C26 H18 Cd N4 O4'
_chemical_formula_weight         562.84
_chemical_name_systematic
Poly[[\m~2~-1,2-bis(pyridin-4-yl)ethene-\k^2^<i>N</i>:<i>N</i>'][\m~2~-2,2'-(diazenediyl)dibenzoato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>'']cadmium(II)]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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-2013
_cell_angle_alpha                90
_cell_angle_beta                 113.56(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.417(2)
_cell_length_b                   15.127(3)
_cell_length_c                   13.953(3)
_cell_measurement_reflns_used    9920
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      2.37
_cell_volume                     2208.9(9)
_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
;
SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_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  0.0316
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29346
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.383
_diffrn_reflns_theta_min         2.085
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.543
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5531
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0267P)^2^+1.2884P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                4476
_reflns_number_total             5546
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fn3160sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2208.8(9)
_cod_database_code               2019396
_cod_database_fobs_code          2019396
_shelx_estimated_absorpt_t_min   0.820
_shelx_estimated_absorpt_t_max   0.861
_shelx_hkl_checksum              51207
_shelx_res_checksum              6729
_shelxl_version_number           20.13