Crystallography Open Database

Information card for entry 4089655

Preview

Coordinates	4089655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 O18 Ru4
Calculated formula	C28 H36 O18 Ru4
SMILES	C(#[O])[Ru]12(C#[O])([Ru]3(C#[O])(C#[O])([O](C(CC)=[O]1)[Ru]14(C#[O])(C#[O])[O]3C(CC)=[O][Ru]4(C#[O])(C#[O])([O]=C(CC)O1)[O]1CCCC1)[O]=C(CC)O2)[O]1CCCC1
Title of publication	[Ru4(CO)8(μ-OOCCH2CH3)4(THF)2] and [Ru3(μ3-OH)(CO)6(μ-OOCtBu)4(OOCtBu)]: Novel Multinuclear Ruthenium Carbonyl Carboxylates
Authors of publication	Zimmermann, Teresa K.; Ziriakus, Jennifer; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2667
a	7.4375 ± 0.0002 Å
b	9.1704 ± 0.0003 Å
c	13.3918 ± 0.0004 Å
α	104.096 ± 0.0011°
β	90.4828 ± 0.0011°
γ	94.3415 ± 0.0011°
Cell volume	883 ± 0.05 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0165
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0401
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
243715 (current)	2019-11-26	cif/ Adding structures of 4089655, 4089656 via cif-deposit CGI script.	4089655.cif