Crystallography Open Database

Information card for entry 7058028

Preview

Coordinates	7058028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 O12 Ru2
Calculated formula	C14 H6 O12 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	13.385 ± 0.005 Å
b	11.395 ± 0.003 Å
c	11.933 ± 0.004 Å
α	90°
β	100.958 ± 0.013°
γ	90°
Cell volume	1786.9 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7058028.cif
212426	2018-12-07	cif/ Adding structures of 7058027, 7058028, 7058029, 7058030, 7058031, 7058032, 7058033, 7058034 via cif-deposit CGI script.	7058028.cif