Information card for entry 7709743

Structure parameters

• Formula: C33 H33 N4 Yb
• Calculated formula: C33 H33 N4 Yb
• SMILES: [Yb]123456789([N](c%10ccccc%10)=NC(=NN1c1ccccc1)c1ccc(cc1)C(C)(C)C)([cH]1[cH]4[cH]5[cH]3[cH]21)[cH]1[cH]6[cH]9[cH]7[cH]81
• 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: 10.179 ± 0.002 Å
• b: 11.509 ± 0.002 Å
• c: 12.716 ± 0.003 Å
• α: 90°
• β: 108.62 ± 0.03°
• γ: 90°
• Cell volume: 1411.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No