Information card for entry 4070537

Structure parameters

• Formula: C71 H90 B Fe N2 O Si2 U
• Calculated formula: C71 H90 B Fe N2 O Si2 U
• SMILES: [U]1([O](CC)CC)(N([c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[cH]2[cH]7[cH]8[cH]9[c]%102N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)Cc1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands
• Authors of publication: Monreal, Marisa J.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1702
• a: 16.1229 ± 0.0011 Å
• b: 21.8507 ± 0.0013 Å
• c: 18.5574 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6537.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No