Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions
Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing; CrystEngComm 15 (2013) 4970–; doi:10.1039/c3ce40174j

data_7210782
_publ_section_title
;
 Synthesis, structure and adsorption of coordination polymers constructed
 from 3,3&#x2032;,5,5&#x2032;-azobenzenetetracarboxylic acid and Zn ions
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4970
_journal_paper_doi               10.1039/c3ce40174j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C31 H23 N5 O11 Zn2'
_chemical_formula_weight         772.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 118.689(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8359(19)
_cell_length_b                   12.9970(18)
_cell_length_c                   24.900(3)
_cell_measurement_temperature    296(2)
_cell_volume                     3928.0(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1335
_diffrn_reflns_av_sigmaI/netI    0.1797
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20090
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.278
_exptl_absorpt_correction_T_max  0.8829
_exptl_absorpt_correction_T_min  0.8315
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.295
_refine_diff_density_min         -0.903
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         6950
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.2545
_refine_ls_R_factor_gt           0.1193
_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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3106
_refine_ls_wR_factor_ref         0.3961
_reflns_number_gt                2489
_reflns_number_total             6950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40174j.txt
_cod_data_source_block           338c
_cod_original_sg_symbol_H-M      'P 2(1)/c'
_cod_database_code               7210782