Crystallography Open Database

Information card for entry 7241085

Preview

Coordinates	7241085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H6 N O9 Os3
Calculated formula	C16 H6 N O9 Os3
SMILES	[Os]12([Os]34([Os]1(C#[O])(C#[O])(C#[O])[C]3(c1[n]2cccc1)=[CH2]4)(C#[O])(C#[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	8.1249 ± 0.0002 Å
b	15.291 ± 0.0004 Å
c	15.3121 ± 0.0004 Å
α	90°
β	91.697 ± 0.002°
γ	90°
Cell volume	1901.51 ± 0.08 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
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.	7241085.cif
255475	2020-08-20	cif/ Adding structures of 7241081, 7241082, 7241083, 7241084, 7241085 via cif-deposit CGI script.	7241085.cif