Information card for entry 2222498

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquabis[4-(diethylamino)benzoato- κ<i>O</i>]manganese(II)]-μ-aqua] dihydrate]
• Formula: C22 H38 Mn N2 O9
• Calculated formula: C22 H38 Mn N2 O9
• SMILES: [Mn](OC(=O)c1ccc(N(CC)CC)cc1)([OH2])(OC(=O)c1ccc(N(CC)CC)cc1)([OH2])[OH2][Mn](OC(=O)c1ccc(N(CC)CC)cc1)([OH2])([OH2])(OC(=O)c1ccc(N(CC)CC)cc1)[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquabis[4-(diethylamino)benzoato-κ<i>O</i>]manganese(II)]-μ-aqua] dihydrate]
• Authors of publication: Hökelek, Tuncer; Dal, Hakan; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m747 - m748
• a: 8.1585 ± 0.0002 Å
• b: 11.2907 ± 0.0002 Å
• c: 27.8738 ± 0.0003 Å
• α: 90°
• β: 95.644 ± 0.002°
• γ: 90°
• Cell volume: 2555.15 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes