Crystallography Open Database

Information card for entry 1561169

Preview

Coordinates	1561169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 Mn O6
Calculated formula	C2 H4 Mn O6
SMILES	[Mn]12([O]=C3C(=[O][Mn]([OH2])([OH2])O3)O1)([OH2])(OC(=O)C(=O)O2)[OH2]
Title of publication	Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O
Authors of publication	Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	260
Pages of publication	87 - 94
a	11.939 ± 0.005 Å
b	5.6241 ± 0.0007 Å
c	9.703 ± 0.003 Å
α	90°
β	126.52 ± 0.06°
γ	90°
Cell volume	523.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263186 (current)	2021-03-19	cif/ Adding structures of 1561167, 1561168, 1561169, 1561170, 1561171 via cif-deposit CGI script.	1561169.cif