How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks
Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana; Crystal Growth & Design 14 (2014) 5452–; doi:10.1021/cg5006133

data_4512013
_publ_section_title
;
 How Structure-Directing Cations Tune the Fluorescence of Metal--Organic
 Frameworks
;
_journal_issue                   11
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5452
_journal_paper_doi               10.1021/cg5006133
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C9 H3 O6 Zn, C H6 N'
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_chemical_name_systematic
; 
 ? 
;
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_computing_structure_solution    'SHELXTL ver. 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
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_diffrn_reflns_theta_max         28.00
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_exptl_absorpt_correction_T_max  0.8944
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_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0393P)^2^+0.2025P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            Zn-BTC-MeNH3.cif
_cod_data_source_block           zn-btc-menh3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4512007--4512019.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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_original_cell_volume        532.0(4)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4512013