Crystallography Open Database

Information card for entry 1571814

Preview

Coordinates	1571814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H96 Mn18 N2 O50
Calculated formula	C48 H88 Mn18 N2 O48
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	10.4312 ± 0.0005 Å
b	13.1605 ± 0.0006 Å
c	16.2948 ± 0.0008 Å
α	106.181 ± 0.003°
β	99.194 ± 0.004°
γ	90.133 ± 0.004°
Cell volume	2118.14 ± 0.18 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 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	0.1306
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1571814.cif
292321	2024-06-13	cif/ Adding structures of 1571813, 1571814 via cif-deposit CGI script.	1571814.cif