Information card for entry 2206154

Structure parameters

• Chemical name: Diaqua(cyclohexane-1,1-diacetato-κ^2^O,O')(phenanthroline- κ^2^N,N')manganese(II) trihydrate
• Formula: C22 H32 Mn N2 O9
• Calculated formula: C22 H32 Mn N2 O9
• SMILES: [Mn]12(OC(=O)CC3(CCCCC3)CC(=O)O1)([OH2])([OH2])[n]1cccc3ccc4ccc[n]2c4c13.O.O.O
• Title of publication: Diaqua(cyclohexane-1,1-diacetato-κ^2^<i>O,O</i>')(phenanthroline-κ^2^<i>N,N</i>')manganese(II) trihydrate
• Authors of publication: Liang Shen; Li-Cheng Yan; Zhi-Min Jin; Yi-Jian Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1419 - m1421
• a: 7.8763 ± 0.0003 Å
• b: 25.0242 ± 0.0007 Å
• c: 12.7232 ± 0.0003 Å
• α: 90°
• β: 101.275 ± 0.001°
• γ: 90°
• Cell volume: 2459.32 ± 0.13 ų
• Cell temperature: 297 ± 1 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 significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes