Crystallography Open Database

Information card for entry 1550159

Preview

Coordinates	1550159.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lu2@Cs(8)-C86 Ni(OEP)
Chemical name	Lu2@Cs(8)-C86 Ni(OEP)
Formula	C292 H144 Lu4 N12 Ni3
Calculated formula	C292 H144 Lu3.9998 N12 Ni3
Title of publication	Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size
Authors of publication	Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi
Journal of publication	Chemical Science
Year of publication	2019
a	24.454 ± 0.005 Å
b	18.039 ± 0.005 Å
c	22.303 ± 0.005 Å
α	90 ± 0.005°
β	101.767 ± 0.005°
γ	90 ± 0.005°
Cell volume	9632 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1807
Residual factor for significantly intense reflections	0.1332
Weighted residual factors for significantly intense reflections	0.2687
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211710 (current)	2018-10-31	cif/ Adding structures of 1550154, 1550155, 1550156, 1550157, 1550158, 1550159, 1550160, 1550161, 1550162, 1550163 via cif-deposit CGI script.	1550159.cif