Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.
Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng; Dalton transactions (Cambridge, England : 2003) 43 (2014) 15237–15244; doi:10.1039/c4dt01883d

data_7032003
_publ_section_title
;
 Host-guest interaction dictated selective adsorption and fluorescence
 quenching of a luminescent lightweight metal-organic framework toward
 liquid explosives.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15237
_journal_page_last               15244
_journal_paper_doi               10.1039/c4dt01883d
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C38 H26 Mg2 N4 O14'
_chemical_formula_sum            'C38 H26 Mg2 N4 O14'
_chemical_formula_weight         811.25
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 130.1130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2119(13)
_cell_length_b                   16.1935(11)
_cell_length_c                   14.0617(17)
_cell_measurement_reflns_used    2950
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.103
_cell_measurement_theta_min      1.925
_cell_volume                     3345.7(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
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_diffrn_reflns_Laue_measured_fraction_full 0.974
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_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8295
_diffrn_reflns_point_group_measured_fraction_full 0.974
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.103
_diffrn_reflns_theta_min         1.925
_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_meas      ?
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_exptl_crystal_description       stick
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_exptl_crystal_size_mid          0.14
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_refine_ls_extinction_method     SHELXL
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1768P)^2^+10.0318P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2544
_refine_ls_wR_factor_ref         0.2690
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2360
_reflns_number_total             2950
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031997--7032004.cif.

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               7032003
_shelxl_version_number           2013-3
_shelx_res_checksum              85222