Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission.
Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei; Inorganic chemistry 56 (2017) 1696–1705; doi:10.1021/acs.inorgchem.6b02863

data_4345055
_publ_section_title
;
 Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole
 Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and
 Dual Emission.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1696
_journal_page_last               1705
_journal_paper_doi               10.1021/acs.inorgchem.6b02863
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety
'0.33(C144 H36 Cd18 N36 O72 S21), 3(O), 3(H2 O)'
_chemical_formula_sum            'C48 H24 Cd6 N12 O30 S7'
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Olex2 1.2
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????
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scan:
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Saturn724 (4x4 bin mode)
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'w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+15.0957P] where P=(Fo^2^+2Fc^2^)/3'
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;
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/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4345055.cif.
;
_cod_original_cell_volume        6442(2)
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
2. Others
 Fixed Sof: O5(0.5) O6(0.5) H6a(0.5) H6b(0.5)
3.a Riding coordinates:
 O6(H6a,H6b)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4)
;
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_olex2_submission_special_instructions 'No special instructions were received'