Information card for entry 7028283

Structure parameters

• Formula: C28 H34 N2 O2
• Calculated formula: C28 H34 N2 O2
• SMILES: c1(c(cccc1)C/N=C/c1c(cccc1)O)Nc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O
• 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: 9.5342 ± 0.0008 Å
• b: 12.0945 ± 0.001 Å
• c: 12.3345 ± 0.0011 Å
• α: 62.28 ± 0.004°
• β: 83.074 ± 0.005°
• γ: 81.49 ± 0.005°
• Cell volume: 1243.03 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No