Information card for entry 4338975

Structure parameters

• Chemical name: Bis(hydrido(tris-(3,5-dimethylpyrazolyl)borato)samarium(III)- ortho-(3,5-di-t-Butyl)benzohemiquinone
• Formula: C47.5 H68 B2 N12 O2 Sm
• Calculated formula: C47.5 H68 B2 N12 O2 Sm
• Title of publication: Trapping of anionic organic radicals by (TpMe2)2Ln (Ln = Sm, Eu).
• Authors of publication: Domingos, Angela; Lopes, Irene; Waerenborgh, João C; Marques, Noémia; Lin, G. Y.; Zhang, X. W.; Takats, Josef; McDonald, Robert; Hillier, Anna C.; Sella, Andrea; Elsegood, Mark R. J.; Day, Victor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9415 - 9424
• a: 13.1716 ± 0.0001 Å
• b: 13.794 ± 0.0002 Å
• c: 14.7429 ± 0.0002 Å
• α: 92.399 ± 0.001°
• β: 102.571 ± 0.001°
• γ: 104.603 ± 0.001°
• Cell volume: 2516.65 ± 0.06 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No