Information card for entry 7056074

Structure parameters

• Formula: C22 H29 N3 Ni O3
• Calculated formula: C22 H29 N3 Ni O3
• SMILES: [Ni]1234(Oc5ccccc5C=[N]1CCC[NH]2CCC[N]3(C)C)Oc1ccccc1C=[O]4
• 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: 8.0642 ± 0.0002 Å
• b: 15.454 ± 0.0004 Å
• c: 17.5161 ± 0.0006 Å
• α: 90°
• β: 101.744 ± 0.001°
• γ: 90°
• Cell volume: 2137.23 ± 0.11 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: 0.0436
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No