Information card for entry 7056077

Structure parameters

• Formula: C30 H48 N12 Ni2 O2
• Calculated formula: C30 H48 N12 Ni2 O2
• 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=N#N)=N#N
• 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: 10.8264 ± 0.0006 Å
• b: 15.9223 ± 0.0008 Å
• c: 19.0138 ± 0.0011 Å
• α: 90°
• β: 90.451 ± 0.002°
• γ: 90°
• Cell volume: 3277.5 ± 0.3 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: 0.1132
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No