Crystallography Open Database

Information card for entry 7709281

Preview

Coordinates	7709281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl N6 O12 Ru2
Calculated formula	C36 H42 Cl N6 O12 Ru2
SMILES	[Ru]123([O]=C(C=C(O1)C)C)(OC(=CC(=[O]2)C)C)[N]1=[N]([Ru]24(OC(=CC(=[O]2)C)C)([O]=C(C)C=C(O4)C)[n]2c1n(c1ccccc21)C)c1[n]3c2c(n1C)cccc2.Cl(=O)(=O)(=O)[O-]
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	27.467 ± 0.0004 Å
b	18.9358 ± 0.0003 Å
c	15.8522 ± 0.0003 Å
α	90°
β	91.1157 ± 0.0015°
γ	90°
Cell volume	8243.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7709281.cif