Information card for entry 4322266

Structure parameters

• Formula: C47 H81 Er N10
• Calculated formula: C47 H81 Er N10
• 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: 9.8446 ± 0.0004 Å
• b: 24.4973 ± 0.0013 Å
• c: 22.1925 ± 0.0012 Å
• α: 90°
• β: 94 ± 0.01°
• γ: 90°
• Cell volume: 5339 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.0796
• Goodness-of-fit parameter for all reflections: 0.787
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No