I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole framework: an ideal detector of cyano-containing molecules.
Wang, Ying; Yi, Jin-Min; Zhang, Meng-Yuan; Xu, Ping; Zhao, Xiao-Jun; Chemical communications (Cambridge, England) 52 (2016) 3099–3102; doi:10.1039/c5cc09279e

data_7118333
_publ_section_title
;
 I2-induced SC-SC transformation within two-dimensional Zn(ii)-triazole
 framework: an ideal detector of cyano-containing molecules.
;
_journal_issue                   15
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3099
_journal_page_last               3102
_journal_paper_doi               10.1039/c5cc09279e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C28.5 H30 N7.5 O6.5 S Zn'
_chemical_formula_weight         679.03
_chemical_name_systematic
; 
 ? 
;
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_space_group_name_Hall           '-P 1'
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;
2015-10-21 deposited with the CCDC.
2015-12-16 downloaded from the CCDC.
;
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_computing_structure_solution    'Bruker SHELXTL'
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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^)+(0.0521P)^2^+1.4020P] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1054
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6525
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc09279e2.cif
_cod_data_source_block           n150717a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7118332--7118334.cif.
;
_cod_original_formula_sum        'C28.50 H30 N7.50 O6.50 S Zn'
_cod_database_code               7118333
_shelx_estimated_absorpt_t_min   0.819
_shelx_estimated_absorpt_t_max   0.848
_shelxl_version_number           2013-2
_shelx_res_checksum              99274