Information card for entry 7709742

Structure parameters

• Formula: C57 H45 Dy N12
• Calculated formula: C57 H45 Dy N12
• SMILES: [Dy]123([N](=NC(=NN1c1ccccc1)c1ccccc1)c1ccccc1)([N](=NC(=NN2c1ccccc1)c1ccccc1)c1ccccc1)[N](=NC(=NN3c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Rare-earth metal complexes with redox-active formazanate ligands
• Authors of publication: Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.6707 ± 0.0008 Å
• b: 13.1442 ± 0.0008 Å
• c: 15.7479 ± 0.0013 Å
• α: 97.226 ± 0.006°
• β: 92.117 ± 0.006°
• γ: 116.709 ± 0.005°
• Cell volume: 2311.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No