Information card for entry 4327385

Structure parameters

• Formula: C32 H41 N3 Ni O5
• Calculated formula: C32 N3 Ni O5
• SMILES: [Ni]123([O]=C(C(C)(C)C)C=C(O1)C(C)(C)C)(ON(=[O]2)=O)[n]1c(C)cccc1C[N]3(Cc1ccccc1)Cc1ccccc1
• Title of publication: Equilibrium of Low- and High-Spin States of Ni(II) Complexes Controlled by the Donor Ability of the Bidentate Ligands
• Authors of publication: Hideki Ohtsu; Koji Tanaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3024 - 3030
• a: 9.774 ± 0.002 Å
• b: 9.712 ± 0.002 Å
• c: 16.132 ± 0.003 Å
• α: 90°
• β: 96.583 ± 0.009°
• γ: 90°
• Cell volume: 1521.2 ± 0.5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No