Crystallography Open Database

Information card for entry 7243820

Preview

Coordinates	7243820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H102 K4 N2 O64 Si W12
Calculated formula	C52 H102 K4 N2 O64 Si W11.9998
Title of publication	Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties
Authors of publication	Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	48
Pages of publication	8482 - 8489
a	13.9948 ± 0.0007 Å
b	25.5334 ± 0.0013 Å
c	14.1995 ± 0.0007 Å
α	90°
β	106.73 ± 0.002°
γ	90°
Cell volume	4859.2 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
271838 (current)	2022-01-06	cif/ Updating files of 7243819, 7243820 Original log message: Adding full bibliography for 7243819--7243820.cif.	7243820.cif
270215	2021-11-03	cif/ Adding structures of 7243819, 7243820 via cif-deposit CGI script.	7243820.cif