Information card for entry 1569554

Structure parameters

• Common name: Moris771b (Hemanta Deka)
• Formula: C39 H80 N6 Si6 Th
• Calculated formula: C39 H80 N6 Si6 Th
• SMILES: [Th](N=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(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 regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.
• Authors of publication: Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 31
• Pages of publication: 8369 - 8379
• a: 21.6196 ± 0.0019 Å
• b: 12.2443 ± 0.001 Å
• c: 19.8455 ± 0.0016 Å
• α: 90°
• β: 99.296 ± 0.003°
• γ: 90°
• Cell volume: 5184.4 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0578
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No