Crystallography Open Database

Information card for entry 7058027

Preview

Coordinates	7058027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 O8 Ru2
Calculated formula	C18 H16 O8 Ru2
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	9.536 ± 0.003 Å
b	9.886 ± 0.003 Å
c	10.826 ± 0.003 Å
α	91.241 ± 0.01°
β	94.723 ± 0.01°
γ	95.765 ± 0.01°
Cell volume	1011.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0216
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
225010 (current)	2019-11-08	cif/ Updating files of 7058027, 7058028, 7058029, 7058030, 7058031, 7058032, 7058033, 7058034 Original log message: Adding full bibliography for 7058027--7058034.cif.	7058027.cif
212426	2018-12-07	cif/ Adding structures of 7058027, 7058028, 7058029, 7058030, 7058031, 7058032, 7058033, 7058034 via cif-deposit CGI script.	7058027.cif