Crystallography Open Database

Information card for entry 7047340

Preview

Coordinates	7047340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 As2 K14 N6 Ni3 O96 P6 W12
Calculated formula	C18 H24 As2 K14 N6 Ni3 O96 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	22.6407 ± 0.0011 Å
b	22.6407 ± 0.0011 Å
c	19.7106 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	8750 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7047340.cif
210105	2018-08-24	cif/ Adding structures of 7047340, 7047341, 7047342 via cif-deposit CGI script.	7047340.cif