Crystallography Open Database

Information card for entry 7709072

Preview

Coordinates	7709072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H74 N9 O10 Ru2
Calculated formula	C66 H74 N9 O10 Ru2
SMILES	[Ru]1234([n]5ccccc5N([Ru]1(N(c1[n]3cccc1)c1cc(OC)cc(OC)c1)(N(c1[n]2cccc1)c1cc(OC)cc(OC)c1)N(c1[n]4cccc1)c1cc(OC)cc(OC)c1)c1cc(OC)cc(OC)c1)c1ccc(cc1)N(C)C.O=C(C)C.O=C(C)C
Title of publication	Diruthenium aryl compounds – tuning of electrochemical responses and solubility
Authors of publication	Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.2181 ± 0.0008 Å
b	24.2357 ± 0.0012 Å
c	29.5233 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	12319.9 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271418 (current)	2021-12-15	cif/ Adding structures of 7709072, 7709073, 7709074, 7709075, 7709076, 7709077, 7709078, 7709079 via cif-deposit CGI script.	7709072.cif