Information card for entry 4116506

Structure parameters

• Formula: C33.5 H45 B2 N10 Sm
• Calculated formula: C33.5 H41 B2 N10 Sm
• Title of publication: Unprecedented Transformation of a Hydrotris(pyrazolyl)borate Ligand at a Metal Center: Synthesis and Rearrangement of the First Mixed Tp/Cp Lanthanide Complex, Sm(TpMe2)2(Cp)
• Authors of publication: I. Lopes; G. Y. Lin; A. Domingos; R. McDonald; N. Marques; J. Takats
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 8110 - 8111
• a: 8.3256 ± 0.0009 Å
• b: 20.008 ± 0.002 Å
• c: 21.468 ± 0.002 Å
• α: 90°
• β: 93.725 ± 0.01°
• γ: 90°
• Cell volume: 3568.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections: 0.2281
• Weighted residual factors for significantly intense reflections: 0.136
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No