Information card for entry 4331155

Structure parameters

• Formula: C40 H57 F6 N4 Ni O2 Sb
• Calculated formula: C40 H57 F6 N4 Ni O2 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Ni]123[N](c4c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc([NH+](C)C)c(N(C)C)c4)=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C
• Title of publication: Reversible Double Oxidation and Protonation of the Non-Innocent Bridge in a Nickel(II) Salophen Complex
• Authors of publication: David de Bellefeuille; Mohammad S. Askari; Benedikt Lassalle-Kaiser; Yves Journaux; Ally Aukauloo; Maylis Orio; Fabrice Thomas; Xavier Ottenwaelder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12796 - 12804
• a: 15.5147 ± 0.0003 Å
• b: 9.0739 ± 0.0002 Å
• c: 32.0739 ± 0.0006 Å
• α: 90°
• β: 111.38 ± 0.001°
• γ: 90°
• Cell volume: 4204.6 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No