Information card for entry 7028281

Structure parameters

• Formula: C36 H47 N2 Ni O2
• Calculated formula: C36 H47 N2 Ni O2
• SMILES: [Ni]123Oc4c(C=[N]3Cc3c(cccc3)N2c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C
• 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: 28.2555 ± 0.001 Å
• b: 13.6775 ± 0.0004 Å
• c: 19.3826 ± 0.0006 Å
• α: 90°
• β: 114.585 ± 0.002°
• γ: 90°
• Cell volume: 6811.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No