Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands
Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min; CrystEngComm 17 (2015) 5451–; doi:10.1039/C5CE00710K

data_7220625
_publ_section_title
;
 Syntheses, characterization and properties of nine novel Zn(ii)
 coordination polymers based on 4,4&#x2032;-(phenylazanediyl)dibenzoic
 acid and various N-donor ligands
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5451
_journal_paper_doi               10.1039/C5CE00710K
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C92 H84 N16 O13 Zn2'
_chemical_formula_weight         1752.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_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           SHELXL-97
_audit_update_record
;
2015-04-08 deposited with the CCDC.
2015-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                77.782(2)
_cell_angle_beta                 81.567(2)
_cell_angle_gamma                73.826(2)
_cell_formula_units_Z            1
_cell_length_a                   10.6126(14)
_cell_length_b                   13.0570(16)
_cell_length_c                   18.873(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2444.1(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13712
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    0.555
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         9520
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1370
_refine_ls_R_factor_gt           0.0766
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1361P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2134
_refine_ls_wR_factor_ref         0.2394
_reflns_number_gt                5520
_reflns_number_total             9520
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00710k2.cif
_cod_data_source_block           97
_cod_depositor_comments
'Adding full bibliography for 7220620--7220628.cif.'
_cod_database_code               7220625