Crystallography Open Database

Information card for entry 7217197

Preview

Coordinates	7217197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H51 Cr N12 O105 P2 W24
Calculated formula	C72 H51 Cr N12 O105 P2 W24
Title of publication	Polyoxometalate anion‒π interaction-directed assembly of a three-dimensional hydrogen-bonded supramolecular framework with nanoscale porosity
Authors of publication	Liao, Jian-Zhen; Dui, Xue-Jing; Zhang, Hai-Long; Wu, Xiao-Yuan; Lu, Can-Zhong
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	46
Pages of publication	10530
a	19.4966 ± 0.0008 Å
b	19.4966 ± 0.0008 Å
c	58.604 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	19291.9 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2451
Weighted residual factors for all reflections included in the refinement	0.2871
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
180502 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71.	7217197.cif
126339	2014-11-06	cif/ Updating files of 7217197 Original log message: Adding full bibliography for 7217197.cif.	7217197.cif
120723	2014-07-24	cif/ Adding structures of 7217197 via cif-deposit CGI script.	7217197.cif