Information card for entry 4322267

Structure parameters

• Formula: C51 H83 Lu N8
• Calculated formula: C51 H83 Lu N8
• SMILES: [Lu]123([n]4ccc(cc4)C(C)(C)C)([n]4ccc(cc4)C(C)(C)C)([n]4c(cc(n14)C(C)(C)C)C(C)(C)C)([n]1c(cc(n21)C(C)(C)C)C(C)(C)C)n1c(cc([n]31)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors
• Authors of publication: Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4539 - 4548
• a: 19.052 ± 0.001 Å
• b: 21.658 ± 0.001 Å
• c: 26.677 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11007.7 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.0979
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No