Crystallography Open Database

Information card for entry 4134518

Preview

Coordinates	4134518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H12 Cu6 F42 O18
Calculated formula	C84 H12 Cu6 F42 O18
Title of publication	Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.
Authors of publication	Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	13
Pages of publication	5943 - 5947
a	14.22334 ± 0.00008 Å
b	14.22334 ± 0.00008 Å
c	37.3147 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	6537.53 ± 0.06 Å³
Cell temperature	100.01 ± 0.15 K
Ambient diffraction temperature	100.01 ± 0.15 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.32
Weighted residual factors for all reflections included in the refinement	0.3211
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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

Version history

Revision	Date	Message	Files
250066 (current)	2020-04-04	cif/ Updating files of 4134518, 4134519, 4134520, 4134521 Original log message: Adding full bibliography for 4134518--4134521.cif.	4134518.cif
249633	2020-03-24	cif/ Adding structures of 4134518, 4134519, 4134520, 4134521 via cif-deposit CGI script.	4134518.cif