Information card for entry 7055050

Structure parameters

• Formula: C30 H54 Cl Fe N2 O2 Si2 Yb
• Calculated formula: C30 H54 Cl Fe N2 O2 Si2 Yb
• SMILES: [Yb]1(N([Si](C)(C)C(C)(C)C)[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)C(C)(C)C)(Cl)([O]1CCCC1)[O]1CCCC1
• 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: 10.605 ± 0.004 Å
• b: 11.35 ± 0.004 Å
• c: 16.204 ± 0.006 Å
• α: 100.677 ± 0.004°
• β: 94.486 ± 0.004°
• γ: 114.277 ± 0.004°
• Cell volume: 1721 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No