Information card for entry 7056075

Structure parameters

• Formula: C32 H48 N8 Ni2 O4
• Calculated formula: C32 H48 N8 Ni2 O4
• SMILES: [Ni]1234(Oc5ccccc5C=[N]1CCC[NH]2CCC[N]3(C)C)[N]([Ni]123(Oc5ccccc5C=[N]1CCC[NH]2CCC[N]3(C)C)[N]4=C=O)=C=O
• Title of publication: The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands
• Authors of publication: Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 3143
• a: 10.8271 ± 0.0007 Å
• b: 15.8847 ± 0.001 Å
• c: 19.015 ± 0.0013 Å
• α: 90°
• β: 90.578 ± 0.002°
• γ: 90°
• Cell volume: 3270.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1143
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No