Crystallography Open Database

Information card for entry 7056376

Preview

Coordinates	7056376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cl3 N4 O2 Ru
Calculated formula	C21 H17 Cl3 N4 O2 Ru
SMILES	c1cccc2c3cc(cc4c5cccc[n]5[Ru](Cl)(Cl)(N=O)([n]12)[n]34)c1ccccc1.[Cl-].O
Title of publication	Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines
Authors of publication	Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	15
Pages of publication	7371 - 7383
a	28.016 ± 0.0014 Å
b	8.6148 ± 0.0005 Å
c	20.3292 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4906.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation probe	x-ray
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056376.cif
198274	2017-06-30	cif/ Adding structures of 7056375, 7056376, 7056377, 7056378, 7056379, 7056380, 7056381 via cif-deposit CGI script.	7056376.cif