Information card for entry 7106733

Structure parameters

• Formula: C51 H84 Fe2 N4 Si4 U2
• Calculated formula: C51 H84 Fe2 N4 Si4 U2
• SMILES: [U]123456(N([Si](C)(C(C)(C)C)C)[c]78[Fe]9%10%11%12%13%14%15([cH]8[cH]%10[cH]9[cH]7%11)[cH]7[cH]%12[cH]%13[cH]%14[c]%157N1[Si](C)(C)C(C)(C)C)[cH]17[U]89%10%11%12(N([Si](C)(C)C(C)(C)C)[c]%13%14[Fe]%15%16%17%18%19%20%21([cH]%14[cH]%15[cH]%16[cH]%17%13)[c]%13([cH]%18[cH]%19[cH]%20[cH]%21%13)N8[Si](C)(C)C(C)(C)C)[cH]31[cH]4%10[c]5%11([cH]6%12[cH]279)C
• Title of publication: Molecular quadrangle formation from a diuranium m-e⁶,e⁶-toluene complex
• Authors of publication: Marisa J. Monreal; Saeed I. Khan; Jaqueline L. Kiplinger; Paula L. Diaconescu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9119
• a: 14.3594 ± 0.0014 Å
• b: 14.9877 ± 0.0014 Å
• c: 15.2355 ± 0.0015 Å
• α: 91.472 ± 0.001°
• β: 118.893 ± 0.001°
• γ: 100.73 ± 0.001°
• Cell volume: 2795 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No