Crystallography Open Database

Information card for entry 1512619

Preview

Coordinates	1512619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 Au2 Cl4 N2 O4 P2 S2
Calculated formula	C40 H34 Au2 Cl4 N2 O4 P2 S2
SMILES	[Au](Sc1ccc(N(=O)=O)cc1)[P](C=C[P]([Au]Sc1ccc(N(=O)=O)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
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	18.3627 ± 0.001 Å
b	14.175 ± 0.0008 Å
c	16.5005 ± 0.0009 Å
α	90°
β	102.505 ± 0.001°
γ	90°
Cell volume	4193 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.025
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1512619.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512619.cif
89868	2013-11-14	cif/ Adding structures of 1512619 via cif-deposit CGI script.	1512619.cif