Crystallography Open Database

Information card for entry 7063226

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Coordinates	7063226.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni-bodc-tpt
Chemical name	Ni-bodc-tpt
Formula	C48 H48 N6 Ni3 O13
Calculated formula	C48 H48 N6 Ni3 O13
Title of publication	A pacs-type metal-organic framework with high adsorption capacity for inverse C2H6/C2H4 separation
Authors of publication	Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yuechao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	16.7926 ± 0.0006 Å
b	16.7926 ± 0.0006 Å
c	14.6396 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	3575.2 ± 0.3 Å³
Cell temperature	210 ± 90 K
Ambient diffraction temperature	210 ± 90 K
Number of distinct elements	5
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	0.078
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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