Information card for entry 4336430

Structure parameters

• Formula: C42 H50 Cl2 N8 Ni2 O2
• Calculated formula: C42 H50 Cl2 N8 Ni2 O2
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[NH][Ni]1(N=O)[Cl][Ni]([NH]=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(N=O)[Cl]1
• 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: 11.718 ± 0.003 Å
• b: 14.693 ± 0.003 Å
• c: 12.573 ± 0.002 Å
• α: 90°
• β: 100.832 ± 0.011°
• γ: 90°
• Cell volume: 2126.2 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No