Information card for entry 4078489

Structure parameters

• Formula: C30.92 H46.76 B2 I0.08 N12 U
• Calculated formula: C30.921 H46.763 B2 I0.079 N12 U
• SMILES: [U]1234([n]5n(c(cc5C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)([n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C)C
• Title of publication: Use of Alkylsodium Reagents for the Synthesis of Trivalent Uranium Alkyl Complexes
• Authors of publication: Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4467
• a: 10.2751 ± 0.0007 Å
• b: 10.7169 ± 0.0009 Å
• c: 18.3052 ± 0.0013 Å
• α: 96.786 ± 0.007°
• β: 100.517 ± 0.006°
• γ: 115.091 ± 0.006°
• Cell volume: 1751 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No