Information card for entry 4514809

Structure parameters

• Common name: Moris569 (Sayantani)
• Formula: C42 H78 N6 O Si6 Th
• Calculated formula: C42 H78 N6 O Si6 Th
• SMILES: [Th](N=C1N(c2c(c3c(N1C(C)C)cccc3)cccc2)Cc1cc(OC)ccc1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Catalytic Recycling of a Th‒H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles
• Authors of publication: Saha, Sayantani; Eisen, Moris S.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 5947
• a: 11.208 ± 0.0012 Å
• b: 13.909 ± 0.003 Å
• c: 19.199 ± 0.003 Å
• α: 69.17 ± 0.05°
• β: 83.14 ± 0.02°
• γ: 71.15 ± 0.03°
• Cell volume: 2647.3 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No