Information card for entry 4341396

Structure parameters

• Formula: C60.25 H107 B2 N12 Tm
• Calculated formula: C60.25 H107 B2 N12 Tm
• Title of publication: To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(Tp(iPr)2)2 (Ln = Sm, Tm).
• Authors of publication: Momin, Aurélien; Carter, Lee; Yang, Yi; McDonald, Robert; Essafi Née Labouille, Stéphanie; Nief, François; Del Rosal, Iker; Sella, Andrea; Maron, Laurent; Takats, Josef
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141027132008003
• a: 13.5026 ± 0.0007 Å
• b: 20.7331 ± 0.001 Å
• c: 25.3589 ± 0.0012 Å
• α: 90.224 ± 0.0006°
• β: 105.435 ± 0.0006°
• γ: 102.297 ± 0.0006°
• Cell volume: 6672.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No