Crystallography Open Database

Information card for entry 7064421

Preview

Coordinates	7064421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H108 Al4 N11 Ni2 O41
Calculated formula	C84 H45 Al4 N2 Ni2 O23
Title of publication	Atomic Precision Engineering of Heterometallic Hexanuclear Al/M MOFs for Supercapacitor Applications
Authors of publication	Yan, Bo; Ji, Wen-Juan; Fan, Shucong; Pei, Wei-Wei; Liu, Gui-Fang; Wang, Bingqiang; Zhai, Quan-Guo; Fu, Yunlong
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	27.3691 ± 0.0007 Å
b	27.3691 ± 0.0007 Å
c	27.3691 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	20501.3 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.1628
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2448
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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