A new stable luminescent Cd(ii) metal-organic framework with fluorescent sensing and selective dye adsorption properties.
Tong, Wen-Quan; Liu, Wei-Ni; Cheng, Jian-Guo; Zhang, Peng-Feng; Li, Gao-Peng; Hou, Lei; Wang, Yao-Yu; Dalton transactions (Cambridge, England : 2003) 47 (2018) 9466–9473; doi:10.1039/c8dt01694a

data_7046924
_publ_section_title
;
 A new stable luminescent Cd(ii) metal-organic framework with fluorescent
 sensing and selective dye adsorption properties.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9466
_journal_page_last               9473
_journal_paper_doi               10.1039/c8dt01694a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C28 H18 Cd3 N4 O19'
_chemical_formula_weight         1051.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-24 deposited with the CCDC.
2018-06-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.736(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.018(3)
_cell_length_b                   14.091(3)
_cell_length_c                   26.904(6)
_cell_measurement_reflns_used    2257
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.06
_cell_volume                     4550.9(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0590
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
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_diffrn_reflns_point_group_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.962
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_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         1.516
_exptl_absorpt_coefficient_mu    1.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
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_exptl_crystal_size_min          0.090
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_exptl_transmission_factor_min   0.816
_refine_diff_density_max         3.078
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_refine_diff_density_rms         0.318
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         8600
_refine_ls_number_restraints     81
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.1020
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1685P)^2^+103.5311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2810
_refine_ls_wR_factor_ref         0.2884
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7179
_reflns_number_total             8600
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01694a2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7046924.cif.'
_cod_database_code               7046924
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.880
_shelx_res_checksum              28803
_shelx_fab_checksum              39594