Crystallography Open Database

Information card for entry 7108244

Preview

Coordinates	7108244.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MTAF-3
Formula	C66 H56 N12 O19 Zn4
Calculated formula	C66 H56 N12 O19 Zn4
Title of publication	A pillared metal-organic framework incorporated with 1,2,3-triazole moieties exhibiting remarkable enhancement of CO2 uptake
Authors of publication	Wen-Yang Gao; Wuming Yan; Rong Cai; Kia Williams; Andrea Salas; Lukasz Wojtas; Xiaodong Shi; Shengqian Ma
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	8898
a	34.6925 ± 0.0007 Å
b	16.6027 ± 0.0004 Å
c	13.7633 ± 0.0003 Å
α	90°
β	105.303 ± 0.001°
γ	90°
Cell volume	7646.4 ± 0.3 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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