Crystallography Open Database

Information card for entry 1547690

Preview

Coordinates	1547690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 F18 O24 P8 Zr7
Calculated formula	C68 H48 F18 O24 P8 Zr7
Title of publication	Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system
Authors of publication	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	15369
a	16.9609 ± 0.0013 Å
b	26.425 ± 0.002 Å
c	16.9629 ± 0.0013 Å
α	90°
β	117.718 ± 0.002°
γ	90°
Cell volume	6730.2 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1317
Residual factor for significantly intense reflections	0.1085
Weighted residual factors for significantly intense reflections	0.3076
Weighted residual factors for all reflections included in the refinement	0.3315
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
202053 (current)	2017-10-17	cif/ Adding structures of 1547690 via cif-deposit CGI script.	1547690.cif