Information card for entry 7102333

Structure parameters

• Formula: C47 H68 Lu N3 O3
• Calculated formula: C47 H68 Lu N3 O3
• SMILES: [Lu]1234567(N=C8N(C=CN8c8c(cccc8C(C)C)C(C)C)c8c(cccc8C(C)C)C(C)C)([O]8CCCC8)([O]8CCCC8)[CH]8=[CH]7[CH]6=[CH]5[CH]4=[CH]3[CH]2=[CH]18.O1CCCC1
• Title of publication: Syntheses and structures of mononuclear lutetium imido complexes with very short Lu-N bonds.
• Authors of publication: Panda, Tarun K; Randoll, Sören; Hrib, Cristian G; Jones, Peter G; Bannenberg, Thomas; Tamm, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5007 - 5009
• a: 12.2567 ± 0.001 Å
• b: 12.505 ± 0.001 Å
• c: 31.988 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4902.8 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No