1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties
Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping; CrystEngComm 23 (2021) 3196–3203; doi:10.1039/D1CE00257K

data_7242506
_publ_section_title
;
 1D ladder and 2D bilayer coordination polymers constructed from a new
 T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3196
_journal_page_last               3203
_journal_paper_doi               10.1039/D1CE00257K
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C36 H24 Cd2 Cl2 N4 O9'
_chemical_formula_weight         952.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-02-22 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.9570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.5062(3)
_cell_length_b                   6.46920(10)
_cell_length_c                   27.8762(3)
_cell_measurement_reflns_used    2901
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.0706
_cell_measurement_theta_min      4.0873
_cell_volume                     3678.05(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_number            3378
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.678
_diffrn_reflns_theta_min         1.997
_exptl_absorpt_coefficient_mu    1.361
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_description       needle
_exptl_crystal_F_000             1876
_refine_diff_density_max         1.376
_refine_diff_density_min         -1.667
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       0.00208(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3378
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.181
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0715P)^2^+35.6433P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1311
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3195
_reflns_number_total             3378
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00257k2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7242505--7242508.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242506
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              42277
_shelx_hkl_checksum              19223