Information card for entry 2241643

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(4-nitrobenzoato-κ<i>O</i>)manganese(II)
• Formula: C26 H24 Mn N6 O12
• Calculated formula: C26 H24 Mn N6 O12
• SMILES: C(=O)(c1ccc(cc1)N(=O)=O)O[Mn]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)(OC(=O)c1ccc(cc1)N(=O)=O)([OH2])[OH2]
• Title of publication: Crystal structure of <i>trans</i>-diaquabis(nicotinamide-κ<i>N</i>^1^)bis(4-nitrobenzoato-κ<i>O</i>)manganese(II)
• Authors of publication: Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Tonbul, Ali Murat; Dilek, Nefise; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 656 - 658
• a: 7.6051 ± 0.0003 Å
• b: 10.0027 ± 0.0004 Å
• c: 10.2152 ± 0.0004 Å
• α: 78.067 ± 0.003°
• β: 88.43 ± 0.004°
• γ: 71.746 ± 0.003°
• Cell volume: 721.45 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes