Crystallography Open Database

Information card for entry 1570372

Preview

Coordinates	1570372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Mn N6 O6 S2
Calculated formula	C16 H20 Mn N6 O6.5 S2
Title of publication	From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.
Authors of publication	Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	48
Pages of publication	14176 - 14181
a	10.4862 ± 0.0003 Å
b	15.4994 ± 0.0003 Å
c	7.56251 ± 0.00018 Å
α	90°
β	98.534 ± 0.003°
γ	90°
Cell volume	1215.52 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.1137
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for all reflections	0.0767
Weighted residual factors for significantly intense reflections	0.0733
Goodness-of-fit parameter for all reflections	1.6856
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288755 (current)	2024-01-06	cif/ Updating files of 1570371, 1570372 Original log message: Adding full bibliography for 1570371--1570372.cif.	1570372.cif
287814	2023-11-28	cif/ Adding structures of 1570371, 1570372 via cif-deposit CGI script.	1570372.cif