Crystallography Open Database

Information card for entry 7040025

Preview

Coordinates	7040025.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[RuAu]_B
Formula	C64 H70 Au4 Cl11 N10 O Ru
Calculated formula	C64 H70 Au4 Cl11 N10 O Ru
Title of publication	π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex.
Authors of publication	Sorsche, Dieter; Schaub, Markus; Heinemann, Frank W.; Habermehl, Johannes; Kuhri, Susanne; Guldi, Dirk; Guthmuller, Julien; Rau, Sven
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12846 - 12853
a	11.2792 ± 0.0014 Å
b	15.2758 ± 0.0019 Å
c	23.259 ± 0.003 Å
α	78.519 ± 0.002°
β	78.669 ± 0.002°
γ	68.62 ± 0.002°
Cell volume	3623.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
186430 (current)	2016-09-10	cif/ Updating files of 7040024, 7040025 Original log message: Adding full bibliography for 7040024--7040025.cif.	7040025.cif
184633	2016-07-23	cif/ Adding structures of 7040024, 7040025 via cif-deposit CGI script.	7040025.cif