Crystallography Open Database

Information card for entry 2311409

Preview

Coordinates	2311409.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[diaquadichloridomanganese(II)]
Formula	C12 H22 Cl4 Mn2 N2 O6
Calculated formula	C12 H22 Cl4 Mn2 N2 O6
SMILES	c1n(cccc1C)=[O]1[Mn](Cl)(Cl)([OH2])([OH2])[O]([Mn]1([OH2])([OH2])(Cl)Cl)=n1cc(ccc1)C
Title of publication	Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.
Authors of publication	Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1434 - 1438
a	7.902 ± 0.007 Å
b	8.026 ± 0.007 Å
c	9.893 ± 0.008 Å
α	98.033 ± 0.001°
β	99.272 ± 0.007°
γ	113.634 ± 0.011°
Cell volume	552.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
245862 (current)	2019-12-25	cif/ Adding structures of 2311407, 2311408, 2311409 via cif-deposit CGI script.	2311409.cif