Crystallography Open Database

Information card for entry 1512621

Preview

Coordinates	1512621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Au2 Cl2 P2
Calculated formula	C26 H22 Au2 Cl2 P2
SMILES	[Au](Cl)[P](/C=C/[P]([Au]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Photochemical reactivity of Two Gold(I) Dinuclear Complexes, Cis/Trans-(AupNBT)2dppee: Isomerization for Cis-(AupNBT)2dppee Isomer, Wavelength Dependent Radical Substitution for trans‒(AupNBT)2dppee.
Authors of publication	Janet B. Foley; Angela Herring; Bo Li; Evgeny Dikarev
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	300 - 310
a	16.5106 ± 0.0006 Å
b	15.0625 ± 0.0005 Å
c	11.346 ± 0.0004 Å
α	90°
β	117.063 ± 0.001°
γ	90°
Cell volume	2512.7 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512621.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512621.cif
89870	2013-11-14	cif/ Adding structures of 1512621 via cif-deposit CGI script.	1512621.cif