Crystallography Open Database

Information card for entry 1561167

Preview

Coordinates	1561167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 Mn O7
Calculated formula	C2 H6 Mn O7
SMILES	[Mn]12([O]=C3C(=[O][Mn]([OH2])([OH2])O3)O1)([OH2])(OC(=O)C(=O)O2)[OH2].O.O
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	9.7581 ± 0.0005 Å
b	6.61 ± 0.0004 Å
c	10.5127 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	678.08 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	1561167.cif