Information card for entry 4316174

Structure parameters

• Formula: C42 H56 Fe N4 S Si2 U
• Calculated formula: C42 H56 Fe N4 S Si2 U
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N([U]123Sc4c(N1C(c1[n]3c(ccc1)C)Cc1ccccc1)cccc4)[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: 23.049 ± 0.002 Å
• b: 17.1069 ± 0.0016 Å
• c: 22.439 ± 0.002 Å
• α: 90°
• β: 109.84 ± 0.001°
• γ: 90°
• Cell volume: 8322.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No