Crystallography Open Database

Information card for entry 7709280

Preview

Coordinates	7709280.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C32H35N6O4Ru
Formula	C32 H34 N6 O4 Ru
Calculated formula	C32 H34 N6 O4 Ru
SMILES	[Ru]123(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]1)C)C)[N](=Nc1n(c2c([n]31)cccc2)C)c1n(c2c(n1)cccc2)C.c1ccccc1
Title of publication	Inner-sphere electron transfer at the ruthenium-azo interface
Authors of publication	Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.0985 ± 0.0003 Å
b	12.252 ± 0.0003 Å
c	12.9961 ± 0.0003 Å
α	104.342 ± 0.002°
β	98.741 ± 0.002°
γ	94.354 ± 0.002°
Cell volume	1528.89 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271994 (current)	2022-01-12	cif/ Adding structures of 7709279, 7709280, 7709281, 7709282, 7709283 via cif-deposit CGI script.	7709280.cif