Crystallography Open Database

Information card for entry 7211949

7211948 << 7211949 >> 7211950

Preview

Coordinates	7211949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Au Br P
Calculated formula	C24 H19 Au Br P
SMILES	c1(c(cccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]Br
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	9.5352 ± 0.0006 Å
b	9.8668 ± 0.0006 Å
c	12.0877 ± 0.0008 Å
α	73.228 ± 0.004°
β	73.548 ± 0.003°
γ	87.343 ± 0.003°
Cell volume	1043.5 ± 0.12 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 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	0.0828
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7211949.cif
92500	2014-01-12	cif/ Adding structures of 7211947, 7211948, 7211949, 7211950, 7211951, 7211952 via cif-deposit CGI script.	7211949.cif