Crystallography Open Database

Information card for entry 7010533

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Coordinates	7010533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H35 P S3 Sn
Calculated formula	C42 H35 P S3 Sn
SMILES	[Sn](Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides
Authors of publication	Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	23
Pages of publication	3435
a	10.706 ± 0.001 Å
b	17.42 ± 0.002 Å
c	20.17 ± 0.002 Å
α	90°
β	104.719 ± 0.008°
γ	90°
Cell volume	3638.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	0.719
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179809 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/05.	7010533.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010533.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010533.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7010533.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010533.cif