Crystallography Open Database

Information card for entry 7127844

Preview

Coordinates	7127844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H110 Al10 O40
Calculated formula	C50 H110 Al10 O40
Title of publication	Aluminium nanorings: configuration deformation and structural transformation.
Authors of publication	Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	16
Pages of publication	2085 - 2088
a	20.1093 ± 0.0005 Å
b	27.0496 ± 0.0006 Å
c	7.7076 ± 0.0002 Å
α	90°
β	115.686 ± 0.003°
γ	90°
Cell volume	3778.24 ± 0.19 Å³
Cell temperature	107.3 ± 0.3 K
Ambient diffraction temperature	107.3 ± 0.3 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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