Crystallography Open Database

Information card for entry 7047342

Preview

Coordinates	7047342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H60 As2 Cs2 K5 N6 Ni4 O93 P6 W12
Calculated formula	C18 H24 As2 Cs2 K5 N6 Ni4 O93 P6 W12
Title of publication	Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.
Authors of publication	Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	38
Pages of publication	13479 - 13486
a	26.67 ± 0.002 Å
b	29.464 ± 0.003 Å
c	36.519 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	28697 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	10
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1679
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230013 (current)	2019-11-17	cif/ Updating files of 7047340, 7047341, 7047342 Original log message: Adding full bibliography for 7047340--7047342.cif.	7047342.cif
210105	2018-08-24	cif/ Adding structures of 7047340, 7047341, 7047342 via cif-deposit CGI script.	7047342.cif