Information card for entry 2204767

Structure parameters

• Chemical name: cis-Diaquamalonato(1,10-phenanthroline)manganese(II)
• Formula: C15 H14 Mn N2 O6
• Calculated formula: C15 H14 Mn N2 O6
• SMILES: [Mn]12(OC(=O)CC(=O)O1)([OH2])([OH2])[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: <i>cis</i>-Diaquamalonato(1,10-phenanthroline)manganese(II)
• Authors of publication: Zhang, Quan-Zheng; Lu, Can-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1778 - m1780
• a: 9.978 ± 0.005 Å
• b: 9.918 ± 0.004 Å
• c: 15.426 ± 0.007 Å
• α: 90°
• β: 102.31 ± 0.007°
• γ: 90°
• Cell volume: 1491.5 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes