Crystallography Open Database

Information card for entry 1550163

Preview

Coordinates	1550163.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lu2@Cs(15)-C86 Ni(OEP)
Chemical name	Lu2@Cs(15)-C86 Ni(OEP)
Formula	C134 H56 Lu2 N4 Ni
Calculated formula	C134 H56 Lu2 N4 Ni
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	24.149 ± 0.005 Å
b	18.02 ± 0.005 Å
c	18.486 ± 0.005 Å
α	90°
β	90.22 ± 0.005°
γ	90°
Cell volume	8044 ± 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	0.0907
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.22
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	1550163.cif