Information card for entry 4321051

Structure parameters

• Formula: C43 H57 B2 N12 Se Sm
• Calculated formula: C43 H53.5 B2 N12 Se Sm
• Title of publication: Lanthanide Chalcogenolate Complexes: Synthesis and Crystal Structures of the Isoleptic Series [Sm(TpMe,Me)2ER] (E = O, S, Se, Te; TpMe,Me=tris-3,5-Dimethylpyrazolylborate)
• Authors of publication: Anna C. Hillier; Sung-Ying Liu; Andrea Sella; Mark R. J. Elsegood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2635 - 2644
• a: 10.7819 ± 0.0006 Å
• b: 19.3011 ± 0.001 Å
• c: 23.0235 ± 0.0012 Å
• α: 79.443 ± 0.002°
• β: 77.428 ± 0.002°
• γ: 89.827 ± 0.002°
• Cell volume: 4593.8 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No