Information card for entry 4518747

Structure parameters

• Chemical name: Moris678b (Konstantin)
• Formula: C41 H76 N6 Si6 Th
• Calculated formula: C41 H76 N6 Si6 Th
• SMILES: [Th](N=C1N(Cc2ccccc2)c2ccccc2c2ccccc2N1C(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: Remodeling of N-Heterocyclic Iminato Ligand Frameworks for the Facile Synthesis of Isoureas from Alcohols and Carbodiimides Promoted by Organoactinide (Th, U) Complexes
• Authors of publication: Makarov, Konstantin; Saha, Sayantani; Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 11.2761 ± 0.0014 Å
• b: 13.825 ± 0.002 Å
• c: 19.081 ± 0.002 Å
• α: 69.338 ± 0.004°
• β: 83.924 ± 0.003°
• γ: 71.128 ± 0.002°
• Cell volume: 2633.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No