Information card for entry 7043486

Structure parameters

• Common name: Moris508 (Tapas)
• Formula: C40 H55 N3 Th
• Calculated formula: C40 H55 N3 Th
• SMILES: [Th]12345678(N=C9N(c%10ccccc%10c%10ccccc%10N9C(C)C)C(C)C)(C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)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: 35.983 ± 0.005 Å
• b: 9.933 ± 0.003 Å
• c: 22.307 ± 0.003 Å
• α: 90°
• β: 112.31 ± 0.015°
• γ: 90°
• Cell volume: 7376 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No