Crystallography Open Database

Information card for entry 7232415

Preview

Coordinates	7232415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0 H0 Cs9 K9 Mn Na0 Nb12 O199 Si4 W36
Calculated formula	Cs9 K9 Mn Nb12 O199 Si4 W36
Title of publication	Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations
Authors of publication	Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	12
Pages of publication	1862
a	12.96 ± 0.005 Å
b	19.166 ± 0.005 Å
c	20.622 ± 0.005 Å
α	77.511 ± 0.005°
β	75.913 ± 0.005°
γ	83.394 ± 0.005°
Cell volume	4840 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223732 (current)	2019-11-07	cif/ Updating files of 7232415, 7232416, 7232417 Original log message: Adding full bibliography for 7232415--7232417.cif.	7232415.cif
213735	2019-02-21	cif/ Adding structures of 7232415, 7232416, 7232417 via cif-deposit CGI script.	7232415.cif