Information card for entry 4330357

Structure parameters

• Formula: C41 H60 N4 Ni
• Calculated formula: C41 H60 N4 Ni
• SMILES: C1=C(C(C)(C)C)N([Ni]2([N](=C1C(C)(C)C)c1c(cccc1C(C)C)C(C)C)N(c1ccccc1)[NH2]2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reductive Deprotonation and Dehydrogenation of Phenylhydrazine at a Nickel Center To Give a Nickel Diazenido Complex
• Authors of publication: Claudia Köthe; Ramona Metzinger; Christian Herwig; Christian Limberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9740 - 9747
• a: 18.6151 ± 0.0006 Å
• b: 12.2221 ± 0.0003 Å
• c: 19.5038 ± 0.0007 Å
• α: 90°
• β: 113.932 ± 0.002°
• γ: 90°
• Cell volume: 4055.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No