Crystallography Open Database

Information card for entry 7018939

Preview

Coordinates	7018939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 As P S
Calculated formula	C30 H24 As P S
SMILES	[As](Sc1c(P(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1
Title of publication	Reaction of a heterotopic P,SAs ligand with group 10 metal(ii) complexes: As-S bond cleavage and the formation of two unusual trinuclear structural isomers for Pd and Pt.
Authors of publication	Sárosi, Imola; Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminiţa; Hey-Hawkins, Evamarie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5326 - 5333
a	10.483 ± 0.0002 Å
b	9.8797 ± 0.0003 Å
c	48.4808 ± 0.0013 Å
α	90°
β	93.39 ± 0.002°
γ	90°
Cell volume	5012.3 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0989
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179893 (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 7/01/89.	7018939.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018939.cif
56002	2012-05-08	cif/ Adding structures of 7018939, 7018940, 7018941, 7018942, 7018943 via cif-deposit CGI script.	7018939.cif