Crystallography Open Database

Information card for entry 7106770

Preview

Coordinates	7106770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N2 O9 Zn2
Calculated formula	C29 H22 N2 O9 Zn2
Title of publication	Solvochromic and photodimerization behaviour of 1D coordination polymer via single-crystal-to-single-crystal transformation
Authors of publication	Ou, Yong-Cong; Liu, Wen-Ting; Li, Jin-Yan; Zhang, Gong-Guo; Wang, Jing; Tong, Ming-Liang
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2011
Journal volume	47
Journal issue	33
Pages of publication	9384 - 9386
a	7.4121 ± 0.0003 Å
b	10.3132 ± 0.0005 Å
c	17.9686 ± 0.0009 Å
α	87.702 ± 0.004°
β	78.851 ± 0.004°
γ	70.945 ± 0.004°
Cell volume	1273.41 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288009 (current)	2023-12-04	cif/7/10/67/ Updated bibliographic information in entries 7106770-7106773.	7106770.cif
180171	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 7/10/67.	7106770.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.	7106770.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7106770.cif
24521	2011-08-26	../uploads/cif-deposit/cod/cif Adding structures of 7106770, 7106771, 7106772, 7106773 via cif-deposit CGI script.	7106770.cif