Information card for entry 4107524

Structure parameters

• Formula: C36 H44 N4 Ni
• Calculated formula: C36 H44 N4 Ni
• SMILES: [Ni]12([n]3ccccc3C=[N]1c1c(cccc1C(C)C)C(C)C)[n]1ccccc1C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System
• Authors of publication: Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3181 - 3197
• a: 10.084 ± 0.0003 Å
• b: 18.8318 ± 0.0005 Å
• c: 17.5447 ± 0.0004 Å
• α: 90°
• β: 102.104 ± 0.003°
• γ: 90°
• Cell volume: 3257.67 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No