Information card for entry 4083586

Structure parameters

• Formula: C92 H104 Lu3 N15
• Calculated formula: C92 H104 Lu3 N15
• SMILES: [Lu]12345([H][Lu]6789([H]2[Lu]2%10([H]1)([H]36)([H]7)c1cc(C(C)C)nn1c1cc(cc3c6c(c(cc(c6)C)n6ccc(C(C)C)[n]26)n%10c13)C)[n]1c(ccn1c1c2c(cc(c1)C)c1c(c(cc(c1)C)n1ccc(C(C)C)[n]91)n82)C(C)C)n1c2c(cc(cc2c2cc(cc(c12)n1ccc(C(C)C)[n]51)C)C)n1ccc(C(C)C)[n]41.Cc1ccccc1.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: 17.4063 ± 0.0015 Å
• b: 19.8347 ± 0.0017 Å
• c: 25.018 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8637.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0528
• 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