Crystallography Open Database

Information card for entry 7709282

Preview

Coordinates	7709282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 N6 O8 Ru2
Calculated formula	C36 H42 N6 O8 Ru2
SMILES	[Ru]123([O]=C(C=C(O1)C)C)([O]C(C)C=C(O2)C)[N]1=[N]([Ru]24(OC(=CC(=[O]4)C)C)(OC(=CC(=[O]2)C)C)[n]2c1n(c1c2cccc1)C)c1[n]3c2c(n1C)cccc2
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	11.6157 ± 0.0002 Å
b	11.8944 ± 0.0003 Å
c	15.6228 ± 0.0003 Å
α	68.586 ± 0.002°
β	89.761 ± 0.002°
γ	76.019 ± 0.002°
Cell volume	1941.48 ± 0.08 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	0.0629
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
271994 (current)	2022-01-12	cif/ Adding structures of 7709279, 7709280, 7709281, 7709282, 7709283 via cif-deposit CGI script.	7709282.cif