Information card for entry 4325581

Structure parameters

• Formula: C40 H48 B Cl N8 P2 Si2 U
• Calculated formula: C40 H48 B Cl N8 P2 Si2 U
• SMILES: [U]1234(Cl)([N](=P(C4=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1
• Title of publication: Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes
• Authors of publication: Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6500 - 6508
• a: 10.5116 ± 0.0009 Å
• b: 18.3976 ± 0.0015 Å
• c: 22.7622 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4401.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No