A four-fold interpenetrated metal-organic framework as a fluorescent sensor for volatile organic compounds.
Zhao, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long; Bu, Xian-He; Dalton transactions (Cambridge, England : 2003) 45 (2016) 14888–14892; doi:10.1039/c6dt02169g

data_7040282
_publ_section_title
;
 A four-fold interpenetrated metal-organic framework as a fluorescent
 sensor for volatile organic compounds.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14888
_journal_page_last               14892
_journal_paper_doi               10.1039/c6dt02169g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C74 H50 Cd2 N4 O9'
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_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc1k4bnp
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-06 deposited with the CCDC.
2016-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                88.25(3)
_cell_angle_beta                 74.38(3)
_cell_angle_gamma                87.86(3)
_cell_formula_units_Z            2
_cell_length_a                   13.849(3)
_cell_length_b                   14.724(3)
_cell_length_c                   22.987(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4510.1(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  Rigaku
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.1533
_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_theta_max         27.48
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_exptl_absorpt_coefficient_mu    0.515
_exptl_crystal_density_diffrn    1.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.5
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.791
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_refine_ls_number_reflns         20264
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_refine_ls_R_factor_all          0.1471
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                9097
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt02169g2.cif
_cod_data_source_block           zxy-a
_cod_depositor_comments          'Adding full bibliography for 7040282.cif.'
_cod_original_cell_volume        4510.1(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7040282