Crystallography Open Database

Information card for entry 7224985

Preview

Coordinates	7224985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 B Cl F4 N O P2 Ru
Calculated formula	C36 H66 B Cl F4 N2 O2 P2 Ru
Title of publication	Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy
Authors of publication	Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	38
Pages of publication	7260
a	10.1327 ± 0.0005 Å
b	13.1142 ± 0.0006 Å
c	16.2637 ± 0.0007 Å
α	80.616 ± 0.004°
β	84.703 ± 0.004°
γ	68.575 ± 0.005°
Cell volume	1983.63 ± 0.17 Å³
Cell temperature	10 ± 5 K
Ambient diffraction temperature	10 ± 5 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	0.0497
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
187031 (current)	2016-10-08	cif/ Updating files of 7224985 Original log message: Adding full bibliography for 7224985.cif.	7224985.cif
182248	2016-04-22	cif/ Adding structures of 7224985 via cif-deposit CGI script.	7224985.cif