Crystallography Open Database

Information card for entry 1550157

Preview

Coordinates	1550157.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lu2C2@C2v-C86 Ni(OEP)
Chemical name	Lu2C2@C2v-C86 Ni(OEP)
Formula	C130 H50 Lu2 N4 Ni
Calculated formula	C130 H50 Lu2.0001 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	14.604 ± 0.005 Å
b	15.012 ± 0.005 Å
c	19.852 ± 0.005 Å
α	85.556 ± 0.005°
β	88.966 ± 0.005°
γ	62.445 ± 0.005°
Cell volume	3846 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1157
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.2705
Weighted residual factors for all reflections included in the refinement	0.2816
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	1550157.cif