Information card for entry 7709739

Structure parameters

• Formula: C57 H45 N12 Y
• Calculated formula: C57 H45 N12 Y
• SMILES: [Y]123(N(c4ccccc4)N=C(N=[N]1c1ccccc1)c1ccccc1)([N](=NC(=NN2c1ccccc1)c1ccccc1)c1ccccc1)N(N=C(N=[N]3c1ccccc1)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: 12.7048 ± 0.0006 Å
• b: 13.1743 ± 0.0005 Å
• c: 15.8425 ± 0.0007 Å
• α: 97.32 ± 0.003°
• β: 91.965 ± 0.003°
• γ: 116.855 ± 0.003°
• Cell volume: 2333.74 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.058
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No