Information card for entry 4083585

Structure parameters

• Formula: C37.5 H54 Lu N5 Si2
• Calculated formula: C37.5 H54 Lu N5 Si2
• SMILES: [Lu]12(C[Si](C)(C)C)(n3c4c(cc(cc4c4c3c(cc(c4)C)n3ccc(C(C)C)[n]23)C)n2ccc(C(C)C)[n]12)C[Si](C)(C)C.Cc1ccccc1
• Title of publication: Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes
• Authors of publication: Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3005
• a: 15.266 ± 0.004 Å
• b: 15.729 ± 0.004 Å
• c: 17.757 ± 0.004 Å
• α: 101.659 ± 0.003°
• β: 105.997 ± 0.003°
• γ: 95.262 ± 0.003°
• Cell volume: 3964.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No