Microporous Luminescent Metal-Organic Framework for a Sensitive and Selective Fluorescence Sensing of Toxic Mycotoxin in Moldy Sugarcane.
Tian, Dan; Liu, Xiao-Jing; Feng, Rui; Xu, Jia-Li; Xu, Jian; Chen, Rong-Ying; Huang, Ling; Bu, Xian-He; ACS applied materials & interfaces 10 (2018) 5618–5625; doi:10.1021/acsami.7b15764

data_4514392
_publ_section_title
;
 Microporous Luminescent Metal-Organic Framework for a Sensitive and
 Selective Fluorescence Sensing of Toxic Mycotoxin in Moldy Sugarcane.
;
_journal_issue                   6
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              5618
_journal_page_last               5625
_journal_paper_doi               10.1021/acsami.7b15764
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C136 H96 Cd8 Cl0 N40 O48'
_chemical_formula_weight         3957.72
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2a 2bc'
_space_group_name_H-M_alt        'P n n a'
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.952(4)
_cell_length_b                   21.691(4)
_cell_length_c                   31.674(5)
_cell_measurement_reflns_used    130
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0.887
_cell_measurement_theta_min      0.86
_cell_volume                     15082(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  bruker
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
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_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            98451
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.286
_exptl_absorpt_coefficient_mu    0.602
_exptl_crystal_colour            colourness
_exptl_crystal_density_diffrn    0.872
_exptl_crystal_description       block
_exptl_crystal_F_000             3920
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.964
_refine_diff_density_min         -2.252
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       0.0042(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   1.021
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     920
_refine_ls_number_reflns         13275
_refine_ls_number_restraints     1158
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.1530
_refine_ls_R_factor_gt           0.1383
_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^)+(0.1821P)^2^+281.9546P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3751
_refine_ls_wR_factor_ref         0.3841
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10257
_reflns_number_total             13275
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am7b15764_si_002.cif
_cod_data_source_block           y
_cod_depositor_comments          'Adding full bibliography for 4514392.cif.'
_cod_database_code               4514392
_shelx_shelxl_version_number     2014/7
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              81408
_shelx_hkl_checksum              25254