Information card for entry 4105736

Structure parameters

• Formula: C66 H108 N4 O4 Si4 U2
• Calculated formula: C66 H108 N4 O4 Si4 U2
• SMILES: [c]12([c]3([c]4([c]5([c]61[U]1782345(N(C2=C(O1)C1=C(C)C(=C([C@@]1(C)[Si](C2)(C)C)C)C)C(C)C)[O]1C(=[N](C(C)C)[U]231459%10([c]1([c]4([c]5([c]9([c]1%10C)C)C)C)[Si](C)(C)CC(=[N]7C(C)C)[O]82)N(C1=C(O3)C2=C(C(=C([C@@]2(C)[Si](C1)(C)C)C)C)C)C(C)C)C[Si]6(C)C)C)C)C)C.[c]12([c]3([c]4([c]5([c]61[U]1782345(N(C2=C(O1)C1=C(C)C(=C([C@]1(C)[Si](C2)(C)C)C)C)C(C)C)[O]1C(=[N](C(C)C)[U]231459%10([c]1([c]4([c]5([c]9([c]1%10C)C)C)C)[Si](C)(C)CC(=[N]7C(C)C)[O]82)N(C1=C(O3)C2=C(C(=C([C@]2(C)[Si](C1)(C)C)C)C)C)C(C)C)C[Si]6(C)C)C)C)C)C
• Title of publication: Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U
• Authors of publication: Nathan A. Siladke; Joseph W. Ziller; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3507 - 3516
• a: 14.9569 ± 0.0009 Å
• b: 19.1828 ± 0.0011 Å
• c: 24.774 ± 0.0015 Å
• α: 90°
• β: 95.2545 ± 0.0007°
• γ: 90°
• Cell volume: 7078.2 ± 0.7 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No