Information card for entry 1565245

Structure parameters

• Formula: C28 H36 N6 Ni O4
• Calculated formula: C28 H36 N6 Ni O4
• SMILES: C12N(C=CN1CCCC)CC(=O)N([Ni]1=2=C2N(C=CN2CCCC)CC(=O)N1Cc1ccco1)Cc1ccco1
• Title of publication: Reactivity of nickel metal precursors towards amido linked N-heterocyclic carbenes and their catalytic studies for cross coupling reactions
• Authors of publication: Nagar, Suryakant; Chatterjee, Sucheta; Goswami, Dibakar; Cordes, David B.; Slawin, A.M.Z.; Chauhan, Rohit Singh; Prabhu, Pradnya
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 504
• Pages of publication: 119446
• a: 10.1795 ± 0.0002 Å
• b: 16.4812 ± 0.0003 Å
• c: 16.6731 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2797.25 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No