Information card for entry 7107022

Structure parameters

• Formula: C28 H52 B2 N6 O Tm
• Calculated formula: C28 H52 B2 N6 O Tm
• SMILES: [Tm]1234([O]5CCCC5)([n]5n(c(cc5C(C)(C)C)C)[BH](n5[n]1c(cc5C)C(C)(C)C)n1[n]2c(cc1C)C(C)(C)C)[H][BH]([H]3)[H]4
• 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: 12.2792 ± 0.0008 Å
• b: 15.4471 ± 0.001 Å
• c: 17.2852 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3278.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No