Crystallography Open Database

Information card for entry 8103034

Preview

Coordinates	8103034.cif

Structure parameters

Chemical name	Tetraaquadichloromanganese(II)
Formula	Cl2 H8 Mn O4
Calculated formula	Cl2 H8 Mn O4
SMILES	[Mn](Cl)(Cl)([OH2])([OH2])([OH2])[OH2]
Title of publication	Refinement of crystal structure of tetraaquamanganese(II) dichloride, Mn(H2O)4Cl2
Authors of publication	In-Chul Hwang; Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	517
a	6.186 ± 0.003 Å
b	9.514 ± 0.004 Å
c	11.194 ± 0.005 Å
α	90°
β	99.776 ± 0.007°
γ	90°
Cell volume	649.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0192
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103034.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103034.cif
13773	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103034 via cif-deposit CGI script.	8103034.cif