Crystallography Open Database

Information card for entry 7211952

7211951 << 7211952 >> 7211953

Preview

Coordinates	7211952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 Au O P
Calculated formula	C29 H24 Au O P
SMILES	c1(c(cccc1)OC)[Au][P](c1c2c(ccc1)cccc2)(c1ccccc1)c1ccccc1
Title of publication	Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?
Authors of publication	Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	784
a	9.0116 ± 0.0001 Å
b	18.168 ± 0.0003 Å
c	28.8665 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4726.1 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation probe	x-ray
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
180450 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/19.	7211952.cif
92500	2014-01-12	cif/ Adding structures of 7211947, 7211948, 7211949, 7211950, 7211951, 7211952 via cif-deposit CGI script.	7211952.cif