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Information card for entry 8102674
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Coordinates | 8102674.cif |
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Chemical name | Acetato[N,N'-bis(3-ethoxysalicylidene)propane-1,3-diiminato]manganese(III) acetonitrile solvate |
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Formula | C25 H30 Mn N3 O6 |
Calculated formula | C25 H30 Mn N3 O6 |
SMILES | [Mn]1234(Oc5c(OCC)cccc5C=[N]3CCC[N]4=Cc3cccc(OCC)c3O1)[O]=C(O2)C.N#CC |
Title of publication | Crystal structure of acetato[N,N'-bis(3-ethoxysalicylidene)propane-1,3-diiminato]manganese(III) — acetonitrile (1:1), Mn(C21H24N2O4)(CH3COO) · CH3CN |
Authors of publication | Kwang Ha |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2010 |
Journal volume | 225 |
Journal issue | 2 |
Pages of publication | 257 |
a | 9.8702 ± 0.0006 Å |
b | 12.055 ± 0.0007 Å |
c | 22.0827 ± 0.0014 Å |
α | 90° |
β | 102.628 ± 0.001° |
γ | 90° |
Cell volume | 2564 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 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 | 0.1127 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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