Information card for entry 7704101

Structure parameters

• Chemical name: 6
• Formula: C23 H21 Cl2 N5 Ni
• Calculated formula: C23 H21 Cl2 N5 Ni
• SMILES: [Ni]12(Cl)(Cl)([n]3c(N=[N]1c1ccccc1)cccc3C[NH]2c1ccccc1)[n]1ccccc1
• 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: 9.1097 ± 0.0005 Å
• b: 10.1284 ± 0.0005 Å
• c: 12.2167 ± 0.0007 Å
• α: 90.864 ± 0.004°
• β: 100.473 ± 0.004°
• γ: 101.39 ± 0.004°
• Cell volume: 1085.07 ± 0.1 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: 0.0319
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No