Information card for entry 8102830

Structure parameters

• Chemical name: Dichlorobis(2-pyridinealdoxime-N,N')manganese(II) dihydrate
• Formula: C12 H16 Cl2 Mn N4 O4
• Calculated formula: C12 H16 Cl2 Mn N4 O4
• SMILES: [Mn]12(Cl)(Cl)([n]3ccccc3C=[N]1O)[n]1ccccc1C=[N]2O.O.O
• Title of publication: Crystal structure of dichlorobis(2-pyridinealdoxime-N,N') manganese(II) dihydrate, MnCl2(C6H6N2O)2 · 2H2O
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 651
• a: 14.6283 ± 0.0007 Å
• b: 13.9519 ± 0.0006 Å
• c: 8.7216 ± 0.0004 Å
• α: 90°
• β: 101.565 ± 0.001°
• γ: 90°
• Cell volume: 1743.88 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No