Information card for entry 2205817

Structure parameters

• Formula: C52 H78 N8 Ni3 O14
• Calculated formula: C52 H78 N8 Ni3 O14
• SMILES: c12ccccc1[C@@H](C)[NH]1CC(C[NH]3[C@@H](C)c4ccccc4[O]4[Ni]567([O]2[Ni]134([O]=CN(C)C)OC=[O]5)[O]=CO[Ni]123([NH]([C@H](c4c(cccc4)[O]62)C)CC(O)C[NH]1[C@H](C)c1ccccc1[O]73)[O]=CN(C)C)O.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: A linear homotrinuclear nickel(II) complex with a reduced ONNO-type Schiff base
• Authors of publication: Arıcı, Cengiz; Yüzer, Devrim; Atakol, Orhan; Fuess, Hartmut; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m919 - m921
• a: 11.586 ± 0.0012 Å
• b: 11.82 ± 0.0011 Å
• c: 12.652 ± 0.0013 Å
• α: 96.5 ± 0.003°
• β: 107.03 ± 0.002°
• γ: 101.69 ± 0.004°
• Cell volume: 1594.5 ± 0.3 ų
• Cell temperature: 299 ± 2 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 significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes