Information card for entry 4336499

Structure parameters

• Formula: C68 H88 Co I N4 O2 P4 U
• Calculated formula: C68 H88 Co I N4 O2 P4 U
• SMILES: [Co](I)([P](N1C(C)C)(c2ccccc2)c2ccccc2)([P](N2C(C)C)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)N(C(C)C)[U]123[P](N3C(C)C)(c1ccccc1)c1ccccc1.O(CC)CC.O(CC)CC
• Title of publication: Tris(phosphinoamide)-Supported Uranium-Cobalt Heterobimetallic Complexes Featuring Co → U Dative Interactions
• Authors of publication: J. Wesley Napoline; Steven J. Kraft; Ellen M. Matson; Phillip E. Fanwick; Suzanne C. Bart; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12170 - 12177
• a: 16.9576 ± 0.0004 Å
• b: 18.0469 ± 0.0004 Å
• c: 22.0133 ± 0.0005 Å
• α: 90°
• β: 97.8754 ± 0.0017°
• γ: 90°
• Cell volume: 6673.2 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 8
• 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: 0.05
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No