Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing
Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong; CrystEngComm 21 (2019) 1001–; doi:10.1039/C8CE01524D

data_7232074
_publ_section_title
;
 Three layer-structured cadmium coordination polymers based on flexible
 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence
 sensing
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1001
_journal_paper_doi               10.1039/C8CE01524D
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C14 H11 Cd N O6'
_chemical_formula_weight         401.64
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
;
2018-06-23 deposited with the CCDC.
2018-12-27 downloaded from the CCDC.
;
_cell_angle_alpha                75.4320(10)
_cell_angle_beta                 79.5900(10)
_cell_angle_gamma                69.4910(10)
_cell_formula_units_Z            2
_cell_length_a                   7.5577(4)
_cell_length_b                   9.9980(5)
_cell_length_c                   12.2600(6)
_cell_measurement_reflns_used    7280
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.11
_cell_measurement_theta_min      2.22
_cell_volume                     835.39(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7280
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    1.332
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             396
_refine_diff_density_max         0.917
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2955
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0217
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0663
_reflns_number_gt                2726
_reflns_number_total             2955
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce01524d2.cif
_cod_data_source_block           g_sq_d
_cod_depositor_comments
'Adding full bibliography for 7232074--7232076.cif.'
_cod_database_code               7232074