Information card for entry 4307861

Structure parameters

• Common name: samarium(tris(3,5-dimethylpyrazolyl)methanetrichloride tetrahydrofuranate
• Formula: C24 H38 Cl3 N6 O2 Sm
• Calculated formula: C24 H38 Cl3 N6 O2 Sm
• SMILES: [Sm]12(Cl)(Cl)(Cl)([n]3n(C(n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)[O]1CCCC1.O1CCCC1
• Title of publication: Synthesis and Solid-State Structures of Pyrazolylmethane Complexes of the Rare Earths
• Authors of publication: Andrea Sella; Sarah E. Brown; Jonathan W. Steed; Derek A. Tocher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1856 - 1864
• a: 10.5541 ± 0.0016 Å
• b: 13.335 ± 0.002 Å
• c: 21.004 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2956.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No