Information card for entry 2234201

Structure parameters

• Chemical name: <i>trans</i>-Tetrakis[<i>N</i>-(adamantan-1-yl)pyridine-4- carboxamide]dichloridomanganese(II)‒<i>N</i>-(adamantan-1-yl)pyridine- 4-carboxamide (1/2)
• Formula: C96 H120 Cl2 Mn N12 O6
• Calculated formula: C96 H120 Cl2 Mn N12 O6
• SMILES: n1ccc(cc1)C(=O)NC12CC3CC(C1)CC(C2)C3.[Mn]([n]1ccc(cc1)C(=O)NC12CC3CC(C2)CC(C1)C3)([n]1ccc(cc1)C(=O)NC12CC3CC(C2)CC(C1)C3)([n]1ccc(cc1)C(=O)NC12CC3CC(C1)CC(C2)C3)([n]1ccc(cc1)C(=O)NC12CC3CC(C1)CC(C2)C3)(Cl)Cl.n1ccc(cc1)C(=O)NC12CC3CC(C1)CC(C2)C3
• Title of publication: <i>trans</i>-Tetrakis[<i>N</i>-(adamantan-1-yl)pyridine-4-carboxamide]dichloridomanganese(II)‒<i>N</i>-(adamantan-1-yl)pyridine-4-carboxamide (1/2)
• Authors of publication: Wang, Ying-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m408
• a: 11.189 ± 0.004 Å
• b: 11.571 ± 0.004 Å
• c: 16.921 ± 0.006 Å
• α: 86.122 ± 0.009°
• β: 83.605 ± 0.009°
• γ: 84.094 ± 0.01°
• Cell volume: 2162 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1279
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes