Crystallography Open Database

Information card for entry 4127350

Preview

Coordinates	4127350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H192 Cu6 N76 Ni8 O12
Calculated formula	C144 H192 Cu6 N76 Ni8 O12
Title of publication	Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.
Authors of publication	Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	29
Pages of publication	11621 - 11627
a	17.00574 ± 0.00007 Å
b	17.00574 ± 0.00007 Å
c	33.0599 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9560.76 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	104
Hermann-Mauguin space group symbol	P 4 n c
Hall space group symbol	P 4 -2n
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220633 (current)	2019-11-02	cif/ Adding structures of 4127348, 4127349, 4127350, 4127351 via cif-deposit CGI script.	4127350.cif