Crystallography Open Database

Information card for entry 7241083

Preview

Coordinates	7241083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H10 N2 O8 Ru3
Calculated formula	C22 H10 N2 O8 Ru3
SMILES	[Ru]123(C#[O])([Ru]45678([Ru]1([n]1c([C]25=[CH]6[C]7(=[CH]38)c2ncccc2)cccc1)(C#[O])(C#[O])C4=O)(C#[O])C#[O])(C#[O])C#[O]
Title of publication	Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C‒C bond coupling and C‒H bond activation
Authors of publication	Joy, Md. Tuhinur R.; Roknuzzaman,; Hossain, Md. Emdad; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	51
Pages of publication	30671 - 30682
a	8.187 ± 0.005 Å
b	9.641 ± 0.006 Å
c	15.139 ± 0.009 Å
α	97.65 ± 0.03°
β	94.716 ± 0.017°
γ	106.3 ± 0.02°
Cell volume	1127.7 ± 1.2 Å³
Cell temperature	193 ± 1 K
Ambient diffraction temperature	193 ± 1 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	0.0497
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
257975 (current)	2020-10-06	cif/ Updating files of 7241081, 7241082, 7241083, 7241084, 7241085 Original log message: Adding full bibliography for 7241081--7241085.cif.	7241083.cif
255475	2020-08-20	cif/ Adding structures of 7241081, 7241082, 7241083, 7241084, 7241085 via cif-deposit CGI script.	7241083.cif