Information card for entry 4330356

Structure parameters

• Formula: C41 H58 N4 Ni
• Calculated formula: C41 H58 N4 Ni
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Ni](N(C(=C1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)N=Nc1ccccc1)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: 9.864 ± 0.001 Å
• b: 12.33 ± 0.0013 Å
• c: 16.8483 ± 0.0016 Å
• α: 95.819 ± 0.008°
• β: 96.008 ± 0.008°
• γ: 110.731 ± 0.008°
• Cell volume: 1884.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No