Information card for entry 7028280

Structure parameters

• Formula: C28 H31 N2 Ni O2
• Calculated formula: C28 H31 N2 Ni O2
• SMILES: [Ni]123Oc4c(C=[N]3Cc3c(N2c2cc(C(C)(C)C)cc(c2O1)C(C)(C)C)cccc3)cccc4
• Title of publication: Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.
• Authors of publication: Ghorai, Samir; Mukherjee, Chandan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 394 - 397
• a: 19.4933 ± 0.0018 Å
• b: 6.1948 ± 0.0006 Å
• c: 20.415 ± 0.002 Å
• α: 90°
• β: 96.986 ± 0.009°
• γ: 90°
• Cell volume: 2447 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No