Information card for entry 4066442

Structure parameters

• Formula: C25 H47 Cl4 N3 Ni
• Calculated formula: C25 H47 Cl4 N3 Ni
• SMILES: c12ccccc1ccc[n]2[Ni](Cl)(Cl)Cl.[NH+](C(C)C)(C(C)C)CC.[Cl-].[NH+](C(C)C)(C(C)C)CC
• Title of publication: Nickel Complexes with Bis(8-quinolyl)silyl Ligands. An Unusual Ni3Si2Cluster Containing Six-Coordinate Silicon†
• Authors of publication: Yang, Jian; Del Rosal, Iker; Fasulo, Meg; Sangtrirutnugul, Preeyanuch; Maron, Laurent; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5544
• a: 27.4381 ± 0.0011 Å
• b: 14.4903 ± 0.0006 Å
• c: 7.8339 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3114.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No