Crystallography Open Database

Information card for entry 7230086

Preview

Coordinates	7230086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N4 O46 P S2 W12
Calculated formula	C20 H20 N4 O42 P S2 W12
Title of publication	Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations
Authors of publication	Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	11
Pages of publication	1588
a	11.5893 ± 0.0011 Å
b	14.0435 ± 0.0013 Å
c	18.6103 ± 0.0014 Å
α	90°
β	123.117 ± 0.004°
γ	90°
Cell volume	2536.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
229146 (current)	2019-11-17	cif/ Updating files of 7230085, 7230086, 7230087 Original log message: Adding full bibliography for 7230085--7230087.cif.	7230086.cif
206284	2018-02-08	cif/ Adding structures of 7230085, 7230086, 7230087 via cif-deposit CGI script.	7230086.cif