Information card for entry 2203302

Structure parameters

• Formula: C21 H41 Br3 N6 Ni2 O5
• Calculated formula: C21 H41 Br3 N6 Ni2 O5
• SMILES: [Ni]12([N](=Cc3c([O]24)c(cc(c3)C)C=[N]2[Ni]4([OH2])([OH2])([N](CC2)(C)C)Br)CC[N]1(C)C)(Br)(Br)[OH2].N#CC.N#CC.O
• Title of publication: A dinuclear nickel(II) complex of the ligand 2,6-bis[2-(dimethylamino)ethyliminomethyl]-4-methylphenol
• Authors of publication: Adams, Harry; Clunas, Scott; Fenton, David E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m338 - m339
• a: 10.5662 ± 0.0013 Å
• b: 11.8911 ± 0.0015 Å
• c: 25.158 ± 0.003 Å
• α: 90°
• β: 100.039 ± 0.002°
• γ: 90°
• Cell volume: 3112.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes