Crystallography Open Database

Information card for entry 4515316

Preview

Coordinates	4515316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H54 O35 Zr6
Calculated formula	C102 H54 O35 Zr6
Title of publication	Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.
Authors of publication	Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	33
Pages of publication	27868 - 27874
a	32.8831 ± 0.0002 Å
b	32.8831 ± 0.0002 Å
c	32.8831 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	35556.4 ± 0.4 Å³
Cell temperature	173 ± 10 K
Ambient diffraction temperature	173 ± 10 K
Number of distinct elements	4
Space group number	212
Hermann-Mauguin space group symbol	P 43 3 2
Hall space group symbol	P 4acd 2ab 3
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4515316.html