Information card for entry 4081571

Structure parameters

• Formula: C40 H44 Fe N2 Si2 U
• Calculated formula: C40 H44 Fe N2 Si2 U
• SMILES: [U]1(N([Si](C)(C)c2ccccc2)[c]2([cH]3[cH]4[cH]5[cH]62)[Fe]34562789[c]3([cH]2[cH]7[cH]8[cH]93)N1[Si](C)(C)c1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Investigation of the Electronic Structure of Mono(1,1′-Diamidoferrocene) Uranium(IV) Complexes
• Authors of publication: Duhović, Selma; Oria, Jeremy V.; Odoh, Samuel O.; Schreckenbach, Georg; Batista, Enrique R.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 6012
• a: 9.8812 ± 0.0012 Å
• b: 11.9049 ± 0.0015 Å
• c: 17.141 ± 0.002 Å
• α: 69.958 ± 0.001°
• β: 75.045 ± 0.001°
• γ: 74.617 ± 0.001°
• Cell volume: 1795 ± 0.4 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: 0.0209
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No