Crystallography Open Database

Information card for entry 1547691

Preview

Coordinates	1547691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 O14 P4
Calculated formula	C41 O16 P4
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	24.905 ± 0.003 Å
b	24.905 ± 0.003 Å
c	7.5896 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4707.5 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.2332
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
202054 (current)	2017-10-17	cif/ Adding structures of 1547691 via cif-deposit CGI script.	1547691.cif