Information card for entry 4074031

Structure parameters

• Formula: C62 H80 Lu2 N6
• Calculated formula: C62 H80 Lu2 N6
• SMILES: [n]12c3cccc1C[N]14c5c(cccc5C(C)(C)[Lu]21(N(c1c(cccc1C(C)C)C(C)C)C3)[N]12Cc3[n]5c(CN(c6c(cccc6C(C)C)C(C)C)[Lu]425C(c2c1c(ccc2)C(C)C)(C)C)ccc3)C(C)C
• Title of publication: Distinct C−H Bond Activation Pathways in Diamido-Pyridine-Supported Rare-Earth Metal Hydrocarbyl Complexes
• Authors of publication: Zimmermann, Melanie; Estler, Frank; Herdtweck, Eberhardt; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 6029
• a: 19.098 ± 0.0008 Å
• b: 17.7147 ± 0.0007 Å
• c: 17.284 ± 0.0007 Å
• α: 90°
• β: 112.208 ± 0.001°
• γ: 90°
• Cell volume: 5413.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0453
• 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