Crystallography Open Database

Information card for entry 4126440

Preview

Coordinates	4126440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 Cl3 Mn7 N24 O27
Calculated formula	C72 H108 Cl3 Mn7 N24 O27
Title of publication	Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.
Authors of publication	Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	15.28 ± 0.001 Å
b	15.28 ± 0.001 Å
c	76.328 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	15433 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4126440.html