Crystallography Open Database

Information card for entry 2242633

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[[manganese(II)-di-μ~2~-acetato-μ-(4-methylpyridine <i>N</i>-oxide)] monohydrate]
Formula	C10 H15 Mn N O6
Calculated formula	C10 H15 Mn N O6
SMILES	[Mn]12([O]=n3ccc(cc3)C)([O]=C(O[Mn]([O]1=n1ccc(cc1)C)OC(=[O]2)C)C)(OC(=O)C)OC(=O)C.O.O
Title of publication	Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate
Authors of publication	Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	10
Pages of publication	1405 - 1410
a	11.1 ± 0.003 Å
b	7.334 ± 0.003 Å
c	15.9808 ± 0.0004 Å
α	90°
β	96.5 ± 0.011°
γ	90°
Cell volume	1292.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0636
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
210872 (current)	2018-09-12	cif/ hkl/ Adding structures of 2242631, 2242632, 2242633 via cif-deposit CGI script.	2242633.cif 2242633.hkl