Information card for entry 7705221

Structure parameters

• Chemical name: Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-tetrakis(tert-butyl-isocyano)-uranium(iv) bis(tetrakis(pentafluorophenyl)borate)
• Formula: C102 H94 B2 F40 N4 U
• Calculated formula: C102 H94 B2 F40 N4 U
• Title of publication: Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.
• Authors of publication: Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11971 - 11977
• a: 13.9587 ± 0.0003 Å
• b: 13.9699 ± 0.0006 Å
• c: 16.9802 ± 0.0004 Å
• α: 105.169 ± 0.001°
• β: 111.992 ± 0.001°
• γ: 95.683 ± 0.001°
• Cell volume: 2890.57 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No