Information card for entry 7052720

Structure parameters

• Formula: C72 H126 P4 Si4 U2
• Calculated formula: C72 H126 P4 Si4 U2
• SMILES: [U]123456789%10%11%12([CH]%13=[CH]2[C]3(=[CH]4[CH]5=[CH]6[CH]7=[C]8%13[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([c]2([c]9([c]%10([c]%11([c]2%12C)C)C)C)C)P2P1P1[U]3456789%10%11%12%13(P21)([CH]1=[CH]9[C]3(=[CH]4[CH]5=[CH]6[CH]7=[C]81[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([c]1([c]%13([c]%10([c]%11([c]1%12C)C)C)C)C)
• Title of publication: Activation of P4 by U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)(THF); the X-ray structure of [U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)]2(μ-η2:η2-P4)
• Authors of publication: Frey, Alistair S. P.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Green, Jennifer C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2022
• a: 15.0558 ± 0.0004 Å
• b: 20.5033 ± 0.0004 Å
• c: 13.3843 ± 0.0003 Å
• α: 90°
• β: 111.011 ± 0.001°
• γ: 90°
• Cell volume: 3856.94 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No