Information card for entry 4065216

Structure parameters

• Formula: C20 H40 N4 Ni
• Calculated formula: C20 H40 N4 Ni
• SMILES: C1C=[N](C(C)(C)C)[Ni]2([N]=1C(C)(C)C)[N](=CC=[N]2C(C)(C)C)C(C)(C)C
• Title of publication: Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes
• Authors of publication: Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 5010
• a: 18.1617 ± 0.0007 Å
• b: 13.3739 ± 0.0005 Å
• c: 9.228 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.41 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No