Information card for entry 2211713

Structure parameters

• Common name: 61121
• Chemical name: Diaquabis(1,2-di-4-pyridylethane-κN)bis(2-nitrobenzoate-κO)manganese(II)
• Formula: C38 H36 Mn N6 O10
• Calculated formula: C38 H36 Mn N6 O10
• SMILES: [Mn]([n]1ccc(CCc2ccncc2)cc1)([n]1ccc(CCc2ccncc2)cc1)(OC(=O)c1ccccc1N(=O)=O)(OC(=O)c1ccccc1N(=O)=O)([OH2])[OH2]
• Title of publication: Diaquabis(1,2-di-4-pyridylethane-κ<i>N</i>)bis(2-nitrobenzoate-κ<i>O</i>)manganese(II)
• Authors of publication: Li-Li Zhang; Wei-Guang Zhang; Hui Zhong; Yu Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m235 - m237
• a: 10.4669 ± 0.0016 Å
• b: 13.256 ± 0.002 Å
• c: 14.019 ± 0.002 Å
• α: 90°
• β: 110.918 ± 0.004°
• γ: 90°
• Cell volume: 1816.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes