Crystallography Open Database

Information card for entry 7106039

Preview

Coordinates	7106039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H131 Mo24 Na12 O180 P17 Zn6
Calculated formula	Mo24 Na12 O179.92 P17 Zn6
Title of publication	An unprecedented 3D 8-connected pure inorganic framework based on nanosized {[Na12PO16H24][P4Mo6O31H6]4}15- clusters and zinc cations
Authors of publication	Dong-Ying Du; Jun-Sheng Qin; Yang-Guang Li; Shun-Li Li; Ya-Qian Lan; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	2832
a	40.5056 ± 0.0014 Å
b	40.5056 ± 0.0014 Å
c	40.5056 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	66458 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7106039.cif
106525	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to those Chem. Comm. structure descriptions that did not have it before and that could be matched unambiguously. Unambiguously means: a) journal name is "like 'Chem%Com%'" in SQl parlour b) first author's last name is the same in COD and in PubMed b) publication year and first page are the same in COD and in PubMed database. The commands to change these files where: awk '{print $1, $2}' outputs/join-dois.tab \ \| xargs -i sh -c ' CODID=$(echo {} \| awk "{print \$1}"); DOI=$(echo {} \| awk "{print \$2}"); CODFILE=$(echo $CODID \| codid2file); if ! grep -q _journal_paper_doi $CODFILE; then ( set -x; echo _journal_paper_doi $DOI >> $CODFILE ); else echo $CODID already has DOI; fi' Some files that did not had new-line at the end had to be fixed afterwards (in the ~/struct/cod/cif/7 directory, a COD working copy): svn st \ \| awk '{print $2}' \ \| xargs cifparse -q 2> /dev/null \ \| awk -F"'" '{print $2}' \ \| xargs perl -i -pe 's/_journal_paper_doi/\n_journal_paper_doi/' The working copy containing 'outputs/join-dois.tab' was: Path: /home/saulius/struct/xyz-extraction/dois/chem-comm-refetched-from-pubmed URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/dois/chem-comm-refetched-from-pubmed Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2871 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2871 Last Changed Date: 2014-03-15 11:18:46 +0200 (Sat, 15 Mar 2014) Three conflicts in files 10/81/7108128.cif, 10/81/7108130.cif and 10/99/7109903.cif were resolved manually.	7106039.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7106039.cif
11835	2011-03-03	../uploads/cif-deposit/cod/cif Adding structures of 7106039 via cif-deposit CGI script.	7106039.cif