Crystallography Open Database

Information card for entry 7125115

Preview

Coordinates	7125115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H93 Cd3 I6 N6 Nd O11 P2
Calculated formula	C60 H93 Cd3 I6 N6 Nd O11 P2
Title of publication	Unprecedented hexagonal bipyramidal single-ion magnets based on metallacrowns.
Authors of publication	Li, Quan-Wen; Wan, Rui-Chen; Chen, Yan-Cong; Liu, Jun-Liang; Wang, Long-Fei; Jia, Jian-Hua; Chilton, Nicholas F.; Tong, Ming-Liang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	91
Pages of publication	13365 - 13368
a	26.2751 ± 0.0009 Å
b	15.2788 ± 0.0006 Å
c	23.1448 ± 0.0007 Å
α	90°
β	114.769 ± 0.001°
γ	90°
Cell volume	8436.7 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
234528 (current)	2019-11-23	cif/ Adding structures of 7125114, 7125115 via cif-deposit CGI script.	7125115.cif