Crystallography Open Database

Information card for entry 7107551

Preview

Coordinates	7107551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H120 O12 Pb Sn2
Calculated formula	C90 H120 O12 Pb Sn2
SMILES	[Pb]([Sn](c1c(OC(C)C)cccc1OC(C)C)(c1c(OC(C)C)cccc1OC(C)C)c1c(OC(C)C)cccc1OC(C)C)[Sn](c1c(OC(C)C)cccc1OC(C)C)(c1c(OC(C)C)cccc1OC(C)C)c1c(OC(C)C)cccc1OC(C)C.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Stannylplumbylenes: bonding between tetravalent tin and divalent lead
Authors of publication	Drost, Christian; Lönnecke, Peter; Sieler, Joachim
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2012
Journal volume	48
Journal issue	31
Pages of publication	3778 - 3780
a	12.272 ± 0.002 Å
b	15.377 ± 0.003 Å
c	25.439 ± 0.004 Å
α	96.85 ± 0.003°
β	102.309 ± 0.003°
γ	109.506 ± 0.003°
Cell volume	4325.4 ± 1.3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 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	0.0481
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209515 (current)	2018-08-09	cif/7/10/75/ Updating bibliography in entry 7107549, 7107550, 7107551.	7107551.cif
180179	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 7/10/75.	7107551.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.	7107551.cif
48601	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 7107549, 7107550, 7107551 via cif-deposit CGI script.	7107551.cif