Information card for entry 7102332

Structure parameters

• Formula: C43 H68 Cl2 Lu N3 O4
• Calculated formula: C43 H68 Cl2 Lu N3 O4
• SMILES: [Lu](Cl)(Cl)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.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: 18.1126 ± 0.001 Å
• b: 12.3042 ± 0.0007 Å
• c: 19.9567 ± 0.0011 Å
• α: 90°
• β: 96.113 ± 0.001°
• γ: 90°
• Cell volume: 4422.3 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No