Information card for entry 7234376

Structure parameters

• Common name: [NiL26a]
• Formula: C26 H24 N4 Ni O6
• Calculated formula: C26 H24 N4 Ni O6
• SMILES: C1(=C(C=[N]2c3cc4c(cc3[N]3=CC(=C(C)O[Ni]23O1)C(=O)OCC)nc1c(cccc1)n4)C(=O)OCC)C
• Title of publication: Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change
• Authors of publication: Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7925 - 7935
• a: 4.084 ± 0.001 Å
• b: 12.918 ± 0.003 Å
• c: 22.854 ± 0.006 Å
• α: 101.906 ± 0.019°
• β: 91.824 ± 0.02°
• γ: 93.995 ± 0.02°
• Cell volume: 1175.6 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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 all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No