Information card for entry 4338971

Structure parameters

• Chemical name: Bis(hydrido(tris-(3,5-dimethylpyrazolyl)borato)samarium(III)fluorenone ketyl
• Formula: C50 H60 B2 N12 O Sm
• Calculated formula: C50 H60 B2 N12 O Sm
• SMILES: [Sm]1234([O]=C7c8c(c9c7cccc9)cccc8)([n]7n(c(cc7C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C.c1(ccccc1)C
• 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: 17.784 ± 0.0011 Å
• b: 12.648 ± 0.0012 Å
• c: 22.108 ± 0.001 Å
• α: 90 ± 0.001°
• β: 92.542 ± 0.005°
• γ: 90 ± 0.001°
• Cell volume: 4967.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No