Crystallography Open Database

Information card for entry 7040024

Preview

Coordinates	7040024.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[RuAu] (A)
Formula	C67 H75 Au3.5 Cl10 F3 N11 O P0.5 Ru
Calculated formula	C67 H75 Au3.5 Cl10 F3 N11 O P0.5 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	11.7043 ± 0.0003 Å
b	15.0514 ± 0.0004 Å
c	24.0777 ± 0.0004 Å
α	78.063 ± 0.002°
β	79.898 ± 0.002°
γ	67.501 ± 0.002°
Cell volume	3812.28 ± 0.17 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	7040024.cif
184633	2016-07-23	cif/ Adding structures of 7040024, 7040025 via cif-deposit CGI script.	7040024.cif