Information card for entry 4336428

Structure parameters

• Formula: C42 H48 N8 Ni2 O2
• Calculated formula: C42 H48 N8 Ni2 O2
• SMILES: [Ni]12([Ni](N=O)([N]1=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[N]2=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)N=O
• Title of publication: Insertion of Zerovalent Nickel into the N-N Bond of N-Heterocyclic-Carbene-Activated N2O
• Authors of publication: Alexander G. Tskhovrebov; Euro Solari; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11688 - 11690
• a: 23.6314 ± 0.0013 Å
• b: 8.1301 ± 0.0009 Å
• c: 21.381 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4107.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No