Information card for entry 7107021

Structure parameters

• Formula: C8 H28 B2 O4 Tm
• Calculated formula: C8 H28 B2 O4 Tm
• SMILES: [Tm]12345([O](C)CC[O]1C)([O](C)CC[O]2C)([H][BH]([H]3)[H]4)[H][BH2][H]5
• Title of publication: Synthesis and structure of divalent thulium borohydrides, and their application in 'epsilon'-caprolactone polymerisation
• Authors of publication: Aurelien Momin; Fanny Bonnet; Marc Visseaux; Laurent Maron; Josef Takats; Michael J. Ferguson; Xavier-Frederic Le Goff; Francois Nief
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 12203 - 12205
• a: 8.734 ± 0.001 Å
• b: 12.631 ± 0.001 Å
• c: 14.616 ± 0.001 Å
• α: 90°
• β: 102.472 ± 0.001°
• γ: 90°
• Cell volume: 1574.4 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No