Crystallography Open Database

Information card for entry 7127842

Preview

Coordinates	7127842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 Al10 F0.12 O50
Calculated formula	C52 H84 Al10 F2 O48
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	20.7362 ± 0.0005 Å
b	25.0136 ± 0.0005 Å
c	38.8351 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	20143.3 ± 0.9 Å³
Cell temperature	297.27 ± 0.1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262482 (current)	2021-03-05	cif/ Updating files of 7127841, 7127842, 7127843, 7127844, 7127845, 7127846, 7127847 Original log message: Adding full bibliography for 7127841--7127847.cif.	7127842.cif
261174	2021-01-24	cif/ Adding structures of 7127841, 7127842, 7127843, 7127844, 7127845, 7127846, 7127847 via cif-deposit CGI script.	7127842.cif