Information card for entry 7055043

Structure parameters

• Formula: C30 H54 Ce Fe I N2 O2 Si2
• Calculated formula: C30 H54 Ce Fe I N2 O2 Si2
• SMILES: [Ce]1(N([Si](C)(C)C(C)(C)C)[c]2([cH]3[cH]4[cH]6[cH]52)[Fe]34562789[c]3([cH]2[cH]7[cH]8[cH]93)N1[Si](C)(C)C(C)(C)C)(I)([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: 11.347 ± 0.003 Å
• b: 11.36 ± 0.003 Å
• c: 16.303 ± 0.007 Å
• α: 99.15 ± 0.005°
• β: 93.557 ± 0.005°
• γ: 118.858 ± 0.003°
• Cell volume: 1793.5 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No