Information card for entry 4518746

Structure parameters

• Common name: Moris680b (Konstantin)
• Formula: C41 H76 N6 Si6 U
• Calculated formula: C41 H76 N6 Si6 U
• SMILES: [U](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: 11.202 ± 0.003 Å
• b: 13.817 ± 0.004 Å
• c: 19.03 ± 0.007 Å
• α: 69.497 ± 0.007°
• β: 83.942 ± 0.006°
• γ: 71.051 ± 0.005°
• Cell volume: 2609.2 ± 1.4 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: 0.112
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No