Information card for entry 7000638

Structure parameters

• Formula: C37 H48 N4 Ni O7
• Calculated formula: C37 H48 N4 Ni O7
• SMILES: [Ni]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(N(=O)=O)c(N(=O)=O)c3)cc(cc4C(C)(C)C)C(C)(C)C.OC
• Title of publication: One-electron oxidized nickel(II) complexes of bis and tetra(salicylidene) phenylenediamine Schiff bases: from monoradical to interacting Ni(III) ions
• Authors of publication: Rotthaus, Olaf; Jarjayes, Olivier; Philouze, Christian; Del Valle, Carlos Pérez; Thomas, Fabrice
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1792 - 1800
• a: 12.029 ± 0.006 Å
• b: 12.317 ± 0.004 Å
• c: 13.16 ± 0.01 Å
• α: 99.11 ± 0.04°
• β: 102.79 ± 0.04°
• γ: 100.68 ± 0.03°
• Cell volume: 1827.6 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections: 1.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No