Information card for entry 4321050

Structure parameters

• Formula: C37 H51 B2 N12 S Sm
• Calculated formula: C37 H51 B2 N12 S Sm
• SMILES: [Sm]1234([n]5n(c(cc5C)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)Sc1ccc(cc1)C
• 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: 15.0154 ± 0.0009 Å
• b: 13.1853 ± 0.0008 Å
• c: 21.1254 ± 0.0013 Å
• α: 90°
• β: 108.628 ± 0.002°
• γ: 90°
• Cell volume: 3963.4 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No