Crystallography Open Database

Information card for entry 1550158

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Coordinates	1550158.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lu2C2@Cs-C88 Ni(OEP)
Chemical name	Lu2C2@Cs-C88 Ni(OEP)
Formula	C136 H53.6 Lu2 N4 Ni S0.8
Calculated formula	C136 H53.6 Lu1.9999 N4 Ni S0.8
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	14.749 ± 0.005 Å
b	15.029 ± 0.005 Å
c	19.899 ± 0.005 Å
α	84.624 ± 0.005°
β	88.62 ± 0.005°
γ	62.644 ± 0.005°
Cell volume	3899 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.254
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	1550158.cif