Information card for entry 2212743

Structure parameters

• Chemical name: Tetraaquabis[4-(dimethylamino)benzoato-κO]manganese(II) dihydrate
• Formula: C18 H32 Mn N2 O10
• Calculated formula: C18 H32 Mn N2 O10
• SMILES: C(=O)(c1ccc(cc1)N(C)C)O[Mn]([OH2])([OH2])(OC(=O)c1ccc(cc1)N(C)C)([OH2])[OH2].O.O
• Title of publication: Tetraaquabis[4-(dimethylamino)benzoato-κ<i>O</i>]manganese(II) dihydrate
• Authors of publication: Hökelek, Tuncer; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m821 - m823
• a: 7.2047 ± 0.0013 Å
• b: 26.101 ± 0.004 Å
• c: 12.141 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2283.1 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes