Crystallography Open Database

Information card for entry 1571813

Preview

Coordinates	1571813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H175 Mn18 N O58
Calculated formula	C65 H143 Mn18 N O50
Title of publication	From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.
Authors of publication	He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10381 - 10391
a	16.7116 ± 0.0005 Å
b	31.6354 ± 0.0005 Å
c	23.446 ± 0.0005 Å
α	90°
β	110.465 ± 0.003°
γ	90°
Cell volume	11613.1 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.1447
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.2399
Weighted residual factors for all reflections included in the refinement	0.2714
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
293756 (current)	2024-08-05	cif/ Updating files of 1571813, 1571814 Original log message: Adding full bibliography for 1571813--1571814.cif.	1571813.cif
292321	2024-06-13	cif/ Adding structures of 1571813, 1571814 via cif-deposit CGI script.	1571813.cif