Information card for entry 2241606

Structure parameters

• Chemical name: <i>trans</i>-Bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)
• Formula: C22 H34 Mn N4 O8
• Calculated formula: C22 H34 Mn N4 O8
• SMILES: c1(cc(ccc1)N)C(=O)[O-].C1C[NH]2CC[OH][Mn]342([OH]1)[NH](CC[OH]3)CC[OH]4.c1(cc(ccc1)N)C(=O)[O-]
• Title of publication: Crystal structure of <i>trans</i>-bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)
• Authors of publication: Ibragimov, Aziz B.; Zakirov, Bakhtiyar S.; Ashurov, Jamshid M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 502 - 504
• a: 10.612 ± 0.0004 Å
• b: 10.8219 ± 0.0004 Å
• c: 21.7591 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.86 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes