Information card for entry 7704103

Structure parameters

• Formula: C38 H32 Cl6.64 I1.36 N8 Ni2
• Calculated formula: C38 H32 Cl6.6436 I1.3564 N8 Ni2
• 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: 10.4316 ± 0.0003 Å
• b: 15.7887 ± 0.0004 Å
• c: 13.0106 ± 0.0003 Å
• α: 90°
• β: 100.576 ± 0.002°
• γ: 90°
• Cell volume: 2106.46 ± 0.1 ų
• Cell temperature: 100.03 ± 0.11 K
• Ambient diffraction temperature: 100.03 ± 0.11 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: 0.0289
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No