Information card for entry 4080322

Structure parameters

• Formula: C74 H122 N4 O4 Th
• Calculated formula: C74 H122 N4 O4 Th
• SMILES: O1c2c(cc(C(C)(C)C)cc2C[N]2([Th]34561([N](Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O4)(CC[N]3(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O5)C)C)[N](Cc1c(O6)c(cc(c1)C(C)(C)C)C(C)(C)C)(CC2)C)C)C(C)(C)C.CCCCCC
• Title of publication: Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives
• Authors of publication: Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1409
• a: 18.2062 ± 0.0004 Å
• b: 24.5461 ± 0.0004 Å
• c: 16.5539 ± 0.0003 Å
• α: 90°
• β: 98.998 ± 0.001°
• γ: 90°
• Cell volume: 7306.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No