Information card for entry 7043438

Structure parameters

• Formula: C85 H73 I2 N13 O4 U2
• Calculated formula: C85 H73 I2 N13 O4 U2
• SMILES: [U]1234(Oc5ccccc5C=[N]2c2ccccc2[N]23[U]356(Oc7ccccc7[C@@H]([N]45c4ccccc4[N]6=Cc4ccccc4O3)[C@H]2c2ccccc2O1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[I-].[I-].n1ccccc1.n1ccccc1.n1ccccc1.[U]1234(Oc5ccccc5C=[N]2c2ccccc2[N]23[U]356(Oc7ccccc7[C@H]([N]45c4ccccc4[N]6=Cc4ccccc4O3)[C@@H]2c2ccccc2O1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[I-].[I-].n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: A versatile route to homo- and hetero-bimetallic 5f–5f and 3d–5f complexes supported by a redox active ligand framework
• Authors of publication: Camp, Clément; Toniolo, Davide; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.3578 ± 0.0011 Å
• b: 15.3976 ± 0.0007 Å
• c: 38.2404 ± 0.0017 Å
• α: 90°
• β: 90.91 ± 0.005°
• γ: 90°
• Cell volume: 7864.2 ± 0.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No