Crystallography Open Database

Information card for entry 7056377

Preview

Coordinates	7056377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl2 F6 N4 O P Ru
Calculated formula	C21 H15 Cl2 F6 N4 O P Ru
SMILES	c1cccc2c3cc(cc4c5cccc[n]5[Ru](Cl)(Cl)(N=O)([n]12)[n]34)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
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	14.023 ± 0.006 Å
b	7.125 ± 0.004 Å
c	25.62 ± 0.012 Å
α	90°
β	105.62 ± 0.017°
γ	90°
Cell volume	2465 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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)	7056377.cif
198274	2017-06-30	cif/ Adding structures of 7056375, 7056376, 7056377, 7056378, 7056379, 7056380, 7056381 via cif-deposit CGI script.	7056377.cif