Information card for entry 4316460

Structure parameters

• Formula: C44 H112 N6 Na2 O5 Si12 U2
• Calculated formula: C44 H112 N6 Na2 O5 Si12 U2
• SMILES: [U]1234[O]([Na]567([O]1([Na]1([O]9[U]%10([O]1C(=C)[Si](N%10[Si](C)(C)C)(C)C)(N([Si](C9=[CH2]7)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[N]4([Si](C)(C)C)[Si](C)(C)C)[C]5(=[CH2]6)[Si](N3[Si](C)(C)C)(C)C)[O]1CCCC1)C(=C)[Si](N2[Si](C)(C)C)(C)C
• Title of publication: The Bis Metallacyclic Anion [U(N{SiMe3}2)(CH2SiMe2N{SiMe3})2]-
• Authors of publication: Olivier Bénaud; Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8117 - 8130
• a: 11.8946 ± 0.0006 Å
• b: 16.6639 ± 0.0009 Å
• c: 20.5219 ± 0.0007 Å
• α: 75.711 ± 0.003°
• β: 80.618 ± 0.003°
• γ: 75.128 ± 0.002°
• Cell volume: 3788.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No