Crystallography Open Database

Information card for entry 4118806

Preview

Coordinates	4118806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.07 H16 N12 O0.15 Zn2
Calculated formula	C14.073 H16 N12 O0.146 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	10.6825 ± 0.0013 Å
b	12.3388 ± 0.0015 Å
c	17.126 ± 0.002 Å
α	90°
β	95.447 ± 0.002°
γ	90°
Cell volume	2247.2 ± 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	0.0391
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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