Information card for entry 2203481

Structure parameters

• Formula: C12 H44 Mn N10 O16
• Calculated formula: C12 H44 Mn N10 O16
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O.O.O.O.N12CN3CN(C2)CN(C1)C3.N12CN3CN(C1)CN(C2)C3
• Title of publication: Hexaaquamanganese(II) dinitrate bis(hexamethylenetetramine) tetrahydrate
• Authors of publication: Chopra, Deepak; Dagur, Pritesh; Prakash, A. S.; Guru Row, T. N.; Hegde, M. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m348 - m349
• a: 9.511 ± 0.003 Å
• b: 16.232 ± 0.004 Å
• c: 19.426 ± 0.005 Å
• α: 90°
• β: 90.6 ± 0.004°
• γ: 90°
• Cell volume: 2998.9 ± 1.4 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: 0.0683
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes