Information card for entry 7043487

Structure parameters

• Common name: Moris521 (Shani)
• Formula: C19 H23 N3
• Calculated formula: C19 H23 N3
• SMILES: N=C1N(C(C)C)c2ccccc2c2ccccc2N1C(C)C
• Title of publication: Thorium Complexes Possessing Expanded Ring N-heterocyclic iminato Ligands: Synthesis and Applications
• Authors of publication: Eisen, Moris; Ghatak, Tapas; Drucker, Shani; Fridman, Natalia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.28 ± 0.004 Å
• b: 9.292 ± 0.004 Å
• c: 10.039 ± 0.004 Å
• α: 95.99 ± 0.09°
• β: 100.975 ± 0.013°
• γ: 98.546 ± 0.015°
• Cell volume: 832.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No