Crystallography Open Database

Information card for entry 7058034

Preview

Coordinates	7058034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H3 O13 Ru4
Calculated formula	C16 H3 O13 Ru4
Title of publication	Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12
Authors of publication	Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	3
Pages of publication	1478
a	13.736 ± 0.004 Å
b	10.403 ± 0.003 Å
c	15.643 ± 0.005 Å
α	90°
β	91.786 ± 0.009°
γ	90°
Cell volume	2234.2 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.0176
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0416
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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