Crystallography Open Database

Information card for entry 7026865

Preview

Coordinates	7026865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H50 Au2 Cl6 O2 P2
Calculated formula	C66 H50 Au2 Cl6 O2 P2
Title of publication	The electronic structures of diruthenium complexes containing an oligo(phenylene ethynylene) bridging ligand, and some related molecular structures.
Authors of publication	Khairul, Wan M.; Fox, Mark A.; Schauer, Phil A.; Yufit, Dmitry S.; Albesa-Jové, David; Howard, Judith A. K.; Low, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	48
Pages of publication	11605 - 11615
a	14.424 ± 0.002 Å
b	13.1309 ± 0.0019 Å
c	21.74 ± 0.003 Å
α	90°
β	116.55 ± 0.007°
γ	90°
Cell volume	3683.3 ± 0.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
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	0.0775
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MOKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179974 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/68.	7026865.cif
93622	2014-01-13	cif/ Adding structures of 7026864, 7026865, 7026866 via cif-deposit CGI script.	7026865.cif