Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.
Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo; Journal of the American Chemical Society 136 (2014) 15485–15488; doi:10.1021/ja508962m

data_4122827
_publ_section_title
;
 Tuning the luminescence of metal-organic frameworks for detection of
 energetic heterocyclic compounds.
;
_journal_issue                   44
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15485
_journal_page_last               15488
_journal_paper_doi               10.1021/ja508962m
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C36 H34 N2 Ni O6'
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_chemical_name_systematic
; 
 ? 
;
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_density_method    'not measured'
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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^)+(0.0384P)^2^+0.4449P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
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_reflns_number_gt                2362
_reflns_number_total             2538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja508962m_si_003.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4122826--4122828.cif.
;
_cod_original_cell_volume        719.6(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4122827