Crystallography Open Database

Information card for entry 7714784

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Coordinates	7714784.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ru(II) complex of pyridine-triazole ligand
Chemical name	[Ru(Lpyridine)3](PF6)2.2MeCN.Et2O
Formula	C64 H54 F12 N14 P2 Ru
Calculated formula	C64 H54 F12 N14 P2 Ru
Title of publication	Predictable electronic tuning of Fe<sup>II</sup> and Ru<sup>II</sup> complexes <i>via</i> choice of azine: correlation of ligand p<i>K</i><sub>a</sub> with <i>E</i><sub>pa</sub>(M<sup>III/II</sup>) of complex.
Authors of publication	Robb, Matthew G.; Bondì, Luca; Rodríguez-Jiménez, Santiago; Garden, Anna L.; Jerabek, Paul; Brooker, Sally
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	1999 - 2007
a	14.3806 ± 0.0006 Å
b	16.2266 ± 0.0005 Å
c	17.3781 ± 0.0005 Å
α	102.239 ± 0.003°
β	112.933 ± 0.003°
γ	105.195 ± 0.003°
Cell volume	3371.5 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289479 (current)	2024-02-04	cif/ Updating files of 7714784, 7714785, 7714786 Original log message: Adding full bibliography for 7714784--7714786.cif.	7714784.cif
288454	2023-12-21	cif/ Adding structures of 7714784, 7714785, 7714786 via cif-deposit CGI script.	7714784.cif