A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties
Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu; CrystEngComm 17 (2015) 8273–; doi:10.1039/C5CE01423A

data_7222264
_publ_section_title
;
 A series of reaction-controlled coordination polymers constructed from
 bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses,
 structural diversities, properties
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              8273
_journal_paper_doi               10.1039/C5CE01423A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C28 H18 Cd2 F8 N4 O8'
_chemical_formula_weight         915.26
_chemical_name_systematic
; 
 ? 
;
_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
_audit_update_record
;
2015-06-25 deposited with the CCDC.
2015-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.022(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.280(3)
_cell_length_b                   7.5025(12)
_cell_length_c                   20.478(3)
_cell_measurement_reflns_used    3682
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.63
_cell_volume                     3077.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14509
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.488
_exptl_absorpt_correction_T_max  0.7653
_exptl_absorpt_correction_T_min  0.6639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.337
_refine_diff_density_min         -2.137
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         5409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0841
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+148.4109P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2181
_refine_ls_wR_factor_ref         0.2236
_reflns_number_gt                4375
_reflns_number_total             5409
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01423a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7222263--7222269.cif.'
_cod_original_cell_volume        3077.2(9)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7222264