Crystallography Open Database

Information card for entry 4118802

Preview

Coordinates	4118802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 N12 O4 Zn2
Calculated formula	C14 H24 N12 O4 Zn2
Title of publication	Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws
Authors of publication	Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	17380 - 17383
a	10.5783 ± 0.0014 Å
b	12.3288 ± 0.0017 Å
c	17.236 ± 0.002 Å
α	90°
β	93.714 ± 0.002°
γ	90°
Cell volume	2243.2 ± 0.5 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/4118802.html