Crystallography Open Database

Information card for entry 7236643

Preview

Coordinates	7236643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N0.03 O10 S8 Zr
Calculated formula	C17.05 H6.5 N3.324 O4.5 S1.5 Zr0.75
Title of publication	Improving stability against desolvation and mercury removal performance of Zr(iv)‒carboxylate frameworks by using bulky sulfur functions
Authors of publication	He, Yonghe; Hou, Yun-Long; Wong, Yan-Lung; Xiao, Ran; Li, Mu-Qing; Hao, Zhifeng; Huang, Jian; Wang, Lei; Zeller, Matthias; He, Jun; Xu, Zhengtao
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	4
Pages of publication	1648
a	32.8 ± 0.002 Å
b	32.8 ± 0.002 Å
c	32.8 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	35288 ± 4 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
236378 (current)	2019-11-24	cif/ Adding structures of 7236643 via cif-deposit CGI script.	7236643.cif