Crystallography Open Database

Information card for entry 4128036

Preview

Coordinates	4128036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C184 H136 O64 Zr12
Calculated formula	C184 H136 O64 Zr12
Title of publication	Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.
Authors of publication	Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	26
Pages of publication	10283 - 10293
a	21.1397 ± 0.0009 Å
b	32.4825 ± 0.0008 Å
c	33.8974 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	23276.3 ± 1.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	69
Hermann-Mauguin space group symbol	F m m m
Hall space group symbol	-F 2 2
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221169 (current)	2019-11-03	cif/ Adding structures of 4128031, 4128032, 4128033, 4128034, 4128035, 4128036 via cif-deposit CGI script.	4128036.cif