Crystallography Open Database

Information card for entry 7231510

Preview

Coordinates	7231510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H100 N12 O38 Ru2 V4
Calculated formula	C72 H48 N12 O38 Ru2 V4
Title of publication	Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer
Authors of publication	Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	40
Pages of publication	6273
a	12.1515 ± 0.001 Å
b	13.1137 ± 0.0011 Å
c	16.5899 ± 0.0014 Å
α	98.339 ± 0.001°
β	105.425 ± 0.001°
γ	104.474 ± 0.001°
Cell volume	2403.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2037
Weighted residual factors for all reflections included in the refinement	0.2151
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
229052 (current)	2019-11-17	cif/ Updating files of 7231510, 7231511, 7231512 Original log message: Adding full bibliography for 7231510--7231512.cif.	7231510.cif
210857	2018-09-12	cif/ Adding structures of 7231510, 7231511, 7231512 via cif-deposit CGI script.	7231510.cif