Information card for entry 4070339

Structure parameters

• Formula: C64 H70 Lu N3 O P2 Si
• Calculated formula: C64 H70 Lu N3 O P2 Si
• SMILES: c12cc(cc3c4cc(cc5c4n(c13)[Lu]1(c3c(cccc3)P5(c3ccccc3)=[N]1c1ccc(cc1)C(C)C)(C[Si](C)(C)C)([N](c1ccc(cc1)C(C)C)=P2(c1ccccc1)c1ccccc1)[O]1CCCC1)C)C
• Title of publication: Synthesis and Reactivity of Dialkyl Lutetium Complexes Supported by a Novel Bis(phosphinimine)carbazole Pincer Ligand
• Authors of publication: Johnson, Kevin R. D.; Hayes, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6352
• a: 10.768 ± 0.0013 Å
• b: 21.278 ± 0.003 Å
• c: 26.917 ± 0.003 Å
• α: 90°
• β: 99.461 ± 0.002°
• γ: 90°
• Cell volume: 6083.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1316
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No