Information card for entry 7704099

Structure parameters

• Chemical name: 1
• Formula: C24 H28 Cl2 N4 Ni
• Calculated formula: C24 H28 Cl2 N4 Ni
• SMILES: [Ni]12(Cl)(Cl)[NH](Cc3[n]1c(N=[N]2c1ccccc1)ccc3)c1c(cccc1C(C)C)C(C)C
• Title of publication: Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.
• Authors of publication: Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6816 - 6831
• a: 9.429 ± 0.0005 Å
• b: 10.4037 ± 0.0008 Å
• c: 12.8727 ± 0.0008 Å
• α: 107.115 ± 0.007°
• β: 90.214 ± 0.005°
• γ: 100.707 ± 0.006°
• Cell volume: 1183.54 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No