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Information card for entry 2238198
Preview
Coordinates | 2238198.cif |
---|---|
Structure factors | 2238198.hkl |
Original IUCr paper | HTML |
Chemical name | μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49) |
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Formula | C69.61958 H85.3617 Mn6 N16.61958 O23.87106 |
Calculated formula | C69.62 H85.362 Mn6 N16.62 O23.871 |
Title of publication | μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49) |
Authors of publication | Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 7 |
Pages of publication | m393 - m394 |
a | 12.4181 ± 0.0008 Å |
b | 17.0108 ± 0.0011 Å |
c | 20.6627 ± 0.0013 Å |
α | 102.166 ± 0.004° |
β | 96.726 ± 0.004° |
γ | 107.496 ± 0.004° |
Cell volume | 3992.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.138 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.194 |
Weighted residual factors for all reflections included in the refinement | 0.2319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2238198.html
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