Crystallography Open Database

Information card for entry 4134519

Preview

Coordinates	4134519.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7F-12
Formula	C137 H32 Cl2 Cu13 F113 O42
Calculated formula	C137 H32 Cl2 Cu13 F113 O42
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	13.5207 ± 0.0002 Å
b	18.2853 ± 0.0003 Å
c	18.8367 ± 0.0002 Å
α	107.685 ± 0.001°
β	108.685 ± 0.001°
γ	95.644 ± 0.001°
Cell volume	4103.1 ± 0.11 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.2559
Weighted residual factors for all reflections included in the refinement	0.2629
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	4134519.cif
249633	2020-03-24	cif/ Adding structures of 4134518, 4134519, 4134520, 4134521 via cif-deposit CGI script.	4134519.cif