Crystallography Open Database

Information card for entry 1550161

Preview

Coordinates	1550161.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lu3N@D2-C88 Ni(OEP)
Chemical name	Lu3N@D2-C88 Ni(OEP)
Formula	C296 H144 Lu6 N14 Ni3
Calculated formula	C296 H144 Lu5.9994 N14 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	24.634 ± 0.005 Å
b	17.744 ± 0.005 Å
c	23.328 ± 0.005 Å
α	90 ± 0.005°
β	103.22 ± 0.005°
γ	90 ± 0.005°
Cell volume	9927 ± 4 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	0.1766
Residual factor for significantly intense reflections	0.1516
Weighted residual factors for significantly intense reflections	0.3278
Weighted residual factors for all reflections included in the refinement	0.3417
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	1550161.cif