Information card for entry 4316173

Structure parameters

• Formula: C35 H51 Fe N3 Si2 U
• Calculated formula: C35 H51 Fe N3 Si2 U
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N([U]12([n]3c(ccc[c]13)C)Cc1ccccc1)[Si](C)(C)C(C)(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)N2[Si](C)(C)C(C)(C)C
• Title of publication: Reactions of Aromatic Heterocycles with Uranium Alkyl Complexes
• Authors of publication: Selma Duhović; Marisa J. Monreal; Paula L. Diaconescu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7165 - 7169
• a: 9.805 ± 0.004 Å
• b: 11.59 ± 0.005 Å
• c: 18.359 ± 0.008 Å
• α: 73.4 ± 0.004°
• β: 87.716 ± 0.004°
• γ: 66.498 ± 0.004°
• Cell volume: 1827 ± 1.3 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: 0.0312
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No