Information card for entry 4316172

Structure parameters

• Formula: C34 H49 Fe N3 Si2 U
• Calculated formula: C34 H49 Fe N3 Si2 U
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N([U]12(Cc3ccccc3)[c]3[n]1cccc3)[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: 9.871 ± 0.0016 Å
• b: 11.7017 ± 0.0019 Å
• c: 17.624 ± 0.003 Å
• α: 76.825 ± 0.002°
• β: 74.133 ± 0.002°
• γ: 65.74 ± 0.002°
• Cell volume: 1769.6 ± 0.5 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: 0.0593
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No