Information card for entry 2207105

Structure parameters

• Chemical name: Hexaaquamanganese(II) dichloride bis(hexamethylenetetraamine) tetrahydrate
• Formula: C12 H44 Cl2 Mn N8 O10
• Calculated formula: C12 H44 Cl2 Mn N8 O10
• SMILES: C1N2CN3CN1CN(C2)C3.[Cl-].[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1N2CN3CN1CN(C2)C3.[Cl-].O.O
• Title of publication: Hexaaquamanganese(II) dichloride bis(hexamethylenetetramine) tetrahydrate
• Authors of publication: Chen, Zi-Lu; Li, Shi-Bing; Qiu, Zhi-Hui; Zeng, Qing-Fen; Liang, Fu-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1931 - m1932
• a: 9.337 ± 0.003 Å
• b: 9.531 ± 0.002 Å
• c: 9.538 ± 0.002 Å
• α: 119.477 ± 0.004°
• β: 101.018 ± 0.005°
• γ: 94.14 ± 0.005°
• Cell volume: 711.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No