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Information card for entry 7108807
Preview
Coordinates | 7108807.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H95 N7 O20 S6 Zn4 |
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Calculated formula | C24 O13 S6 Zn4 |
Title of publication | Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions |
Authors of publication | Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2013 |
Journal volume | 49 |
Journal issue | 11 |
Pages of publication | 1088 - 1090 |
a | 29.171 ± 0.007 Å |
b | 29.171 ± 0.007 Å |
c | 29.171 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 24823 ± 10 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 225 |
Hermann-Mauguin space group symbol | F m -3 m |
Hall space group symbol | -F 4 2 3 |
Residual factor for all reflections | 0.1228 |
Residual factor for significantly intense reflections | 0.0821 |
Weighted residual factors for significantly intense reflections | 0.2098 |
Weighted residual factors for all reflections included in the refinement | 0.2369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180192 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/88. |
7108807.cif |
130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7108807.cif |
111965 | 2014-04-28 | cif/ (saulius@koala.ibt.lt) Merging information from the recently deposited Chem. Comm. duplicates into the original files, and marking the new files as duplicated. The reason why the duplicates were overlooked was the changed publication year, and missing DOIs in the older entries. Since now DOIs are always recorded, this problem should not arise in the future. The command to update COD files was: grep '^7' cod-title-duplicates-single-year-diff.lst \ | xargs -i sh -c ' OLDID=$(echo {}|awk "{print \$1}"); MAIN=$(echo $OLDID | codid2file); NEWID=$(echo {}|awk "{print \$2}"); DUPL=$(echo $NEWID | codid2file); echo === {} ===; sed "s/data_${NEWID}/data_${OLDID}/" ${DUPL} \ | cif_merge \ --override-tag _journal_name_full,_journal_year \ ${MAIN} - \ | cif_filter --add-cif-header ${MAIN} \ | sponge ${MAIN}; echo "_cod_duplicate_entry $OLDID" >> ${DUPL}' The 'cod-title-duplicates-single-year-diff.lst' file was produced from the previous COD database version by the followinf command: mysql -NB -u cod_reader cod -e ' select d1.file, d2.file from data as d1 join data as d2 on (d1.title = d2.title or d1.title = substr(d2.title,1,length(d2.title)-1) or d2.title = substr(d1.title,1,length(d1.title)-1)) and d1.file < d2.file and d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.vol = d2.vol and abs(cast(d2.year as signed)-cast(d1.year as signed)) = 1 and d1.duplicateof is null and d1.duplicateof is null and d1.year >= 1970' (The last 'd1.duplicateof is null' is actually a mistake, it should have been 'd2.duplicateof is null', but the result should at this point be the same...). |
7108807.cif |
70889 | 2013-01-11 | cif/ Adding structures of 7108805, 7108806, 7108807 via cif-deposit CGI script. |
7108807.cif |
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Users of the data should acknowledge the original authors of the
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