Crystallography Open Database

Information card for entry 4515309

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Coordinates	4515309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12 Co N13
Calculated formula	C21 H12 Co N13
Title of publication	Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.
Authors of publication	Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	32
Pages of publication	27465 - 27471
a	16.3125 ± 0.0004 Å
b	16.3125 ± 0.0004 Å
c	7.5267 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1734.51 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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