Information card for entry 7055049

Structure parameters

• Formula: C51 H84 Fe2 K N4 Si4 Yb
• Calculated formula: C51 H84 Fe2 K N4 Si4 Yb
• SMILES: [Yb]12(N([Si](C)(C)C(C)(C)C)[c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[c]3([cH]8[cH]9[cH]%10[cH]%113)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[c]1([cH]%10[cH]9[cH]8[cH]71)N2[Si](C)(C)C(C)(C)C.[K+].c1(ccccc1)C
• Title of publication: In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions
• Authors of publication: Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7696
• a: 13.541 ± 0.002 Å
• b: 19.611 ± 0.003 Å
• c: 20.563 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5460.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No