Crystallography Open Database

Information card for entry 1550155

Preview

Coordinates	1550155.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lu2@D3h-C78 Ni(OEP)
Chemical name	Lu2@D3h-C78 Ni(OEP)
Formula	C126 H56 Lu2 N4 Ni
Calculated formula	C126 H56 Lu1.9999 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	25.274 ± 0.005 Å
b	14.939 ± 0.005 Å
c	19.653 ± 0.005 Å
α	90 ± 0.005°
β	93.796 ± 0.005°
γ	90 ± 0.005°
Cell volume	7404 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0997
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.2724
Weighted residual factors for all reflections included in the refinement	0.2807
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.6525 Å
Diffraction radiation type	synchrotron
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.	1550155.cif