Crystallography Open Database

Information card for entry 4118805

Preview

Coordinates	4118805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N12 Zn2
Calculated formula	C14 H16 N12 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	10.665 ± 0.001 Å
b	12.4195 ± 0.0012 Å
c	17.1416 ± 0.0016 Å
α	90°
β	95.38 ± 0.001°
γ	90°
Cell volume	2260.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0423
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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