Crystallography Open Database

Information card for entry 7054395

Preview

Coordinates	7054395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H69.69 N24.33 Ni5 O13
Calculated formula	C68.01 H69.69 N24.33 Ni5 O13
Title of publication	Microporous metal‒organic layer built from pentanuclear tetrahedral units: gas sorption and magnetism
Authors of publication	Tan, Yan-Xi; Zhang, Ying; He, Yan-Ping; Zheng, Yan-Jun
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	11
Pages of publication	5272
a	19.829 ± 0.0002 Å
b	14.321 ± 0.0002 Å
c	28.6903 ± 0.0003 Å
α	90°
β	91.055 ± 0.001°
γ	90°
Cell volume	8145.84 ± 0.16 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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