Crystallography Open Database

Information card for entry 7709076

Preview

Coordinates	7709076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H59 N8 O9 Ru2
Calculated formula	C59 H59 N8 O9 Ru2
SMILES	[Ru]1234([n]5ccccc5N([Ru]1(N(c1cc(OC)cc(OC)c1)c1[n]2cccc1)(N(c1cc(cc(OC)c1)OC)c1[n]3cccc1)N(c1[n]4cccc1)c1cc(OC)cc(OC)c1)c1cc(OC)cc(OC)c1)c1ccc(OC)cc1
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	20.7861 ± 0.0009 Å
b	15.6582 ± 0.0006 Å
c	17.0761 ± 0.0007 Å
α	90°
β	100.676 ± 0.002°
γ	90°
Cell volume	5461.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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