Information card for entry 7707413

Structure parameters

• Formula: C58 H84 N2 O P2 U
• Calculated formula: C58 H84 N2 O P2 U
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[U]16789%102345([c]2([cH]8[cH]7[c]6([cH]12)C(C)(C)C)C(C)(C)C)[NH]=C1c2ccccc2C(=[N]91)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)CP(C)(C)=[O]%10)C(C)(C)C)C(C)(C)C.c1ccccc1
• Title of publication: Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η⁵-1,3-(Me₃C)₂C₅H₃]₂U([double bond, length as m-dash]P-2,4,6-ⁱPr₃C₆H₂)(OPMe₃).
• Authors of publication: Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 8349 - 8363
• a: 10.5459 ± 0.0003 Å
• b: 16.111 ± 0.0005 Å
• c: 17.2548 ± 0.0003 Å
• α: 97.179 ± 0.002°
• β: 100.999 ± 0.002°
• γ: 104.742 ± 0.003°
• Cell volume: 2736.2 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0505
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No