Multifunctional Three-Dimensional Europium Metal-Organic Framework for Luminescence Sensing of Benzaldehyde and Cu(2+) and Selective Capture of Dye Molecules.
Du, Pei-Yao; Gu, Wen; Liu, Xin; Inorganic chemistry 55 (2016) 7826–7828; doi:10.1021/acs.inorgchem.6b01385

data_4348583
_publ_section_title
;
 Multifunctional Three-Dimensional Europium Metal-Organic Framework for
 Luminescence Sensing of Benzaldehyde and Cu(2+) and Selective Capture of
 Dye Molecules.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7826
_journal_page_last               7828
_journal_paper_doi               10.1021/acs.inorgchem.6b01385
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C32 H35 Eu2 N5 O18'
_chemical_formula_weight         1081.57
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 82.96(3)
_cell_angle_gamma                75.56(3)
_cell_formula_units_Z            2
_cell_length_a                   10.944(2)
_cell_length_b                   11.129(2)
_cell_length_c                   15.998(3)
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_cell_measurement_theta_min      1.32
_cell_volume                     1823.6(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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  'Bruker Smart Apex CCD area detector'
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_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_theta_max         25.01
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_exptl_absorpt_coefficient_mu    3.495
_exptl_absorpt_correction_T_max  0.657
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1941
_refine_ls_wR_factor_ref         0.2088
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_cod_data_source_file            ic6b01385_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1823.7(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4348583