Selective fluorescent sensing and photocatalytic properties of three MOFs based on naphthalene-1,4-dicarboxylic acid and 2,4,5-tri(4-pyridyl)-imidazole
Wang, Jun-Jie; Zhang, Ren-Chun; Cao, Ya-Li; Li, Yan-Ang; Wang, Yi-Ran; Wang, Qing-Lun; New Journal of Chemistry 42 (2018) 3551–; doi:10.1039/C7NJ03530F

data_7056930
_publ_section_title
;
 Selective fluorescent sensing and photocatalytic properties of three MOFs
 based on naphthalene-1,4-dicarboxylic acid and
 2,4,5-tri(4-pyridyl)-imidazole
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3551
_journal_paper_doi               10.1039/C7NJ03530F
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C90 H64 Cd4 N12 O18'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2017-08-29 deposited with the CCDC.
2018-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                91.6837(14)
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_cell_angle_gamma                94.2364(12)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type
;
SuperNova, Dual, Cu at zero, AtlasS2
;
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0473
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            45294
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_diffrn_reflns_theta_max         67.08
_diffrn_reflns_theta_min         3.35
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    5.397
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.012
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
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_platon_squeeze_details          ' ?'
_refine_diff_density_max         2.146
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_parameters     1109
_refine_ls_number_reflns         24048
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1466P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1795
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                20864
_reflns_number_total             24048
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            c7nj03530f2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7056929--7056931.cif.'
_cod_original_cell_volume        6732.81(18)
_cod_database_code               7056930