Crystallography Open Database

Information card for entry 7709073

Preview

Coordinates	7709073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H69 N8 O12 Ru2
Calculated formula	C64 H69 N8 O12 Ru2
SMILES	[Ru]1234([Ru](N(c5[n]1cccc5)c1cc(OC)cc(OC)c1)(N(c1[n]2cccc1)c1cc(OC)cc(OC)c1)(N(c1[n]3cccc1)c1cc(OC)cc(OC)c1)N(c1[n]4cccc1)c1cc(OC)cc(OC)c1)c1cc(OC)cc(OC)c1.O(C(=O)C)CC
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	12.321 ± 0.0004 Å
b	12.9177 ± 0.0005 Å
c	19.6606 ± 0.0007 Å
α	108.349 ± 0.0019°
β	91.745 ± 0.002°
γ	92.703 ± 0.002°
Cell volume	2963.37 ± 0.19 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	0.0568
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
271418 (current)	2021-12-15	cif/ Adding structures of 7709072, 7709073, 7709074, 7709075, 7709076, 7709077, 7709078, 7709079 via cif-deposit CGI script.	7709073.cif