Information card for entry 7707891

Structure parameters

• Formula: C57 H99 O2 P2 Si6 U
• Calculated formula: C57 H99 O2 P2 Si6 U
• SMILES: [U]12345678([O]=P(C)(C)C)([O]=P(C)(C)C)([c]9([cH]1[c]2([Si](C)(C)C)[cH]3[cH]49)[Si](C)(C)C)[c]1([cH]5[c]6([cH]7[cH]81)[Si](C)(C)C)[Si](C)(C)C.[Si](c1[c-]c([Si](C)(C)C)cc1)(C)(C)C.c1ccccc1.C1=CCC=CC1.c1ccccc1
• Title of publication: Synthesis and reactivity of the uranium phosphinidene metallocene [η⁵-1,3-(Me₃Si)₂C₅H₃]₂U(P-2,4,6-ⁱPr₃C₆H₂)(OPMe₃): influence of the coordinated Lewis base.
• Authors of publication: Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12502 - 12516
• a: 12.133 ± 0.0001 Å
• b: 25.2117 ± 0.0002 Å
• c: 22.3666 ± 0.0002 Å
• α: 90°
• β: 101.984 ± 0.001°
• γ: 90°
• Cell volume: 6692.69 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No