Information card for entry 7055045

Structure parameters

• Formula: C30 H54 Fe I N2 O2 Si2 Sm
• Calculated formula: C30 H54 Fe I N2 O2 Si2 Sm
• SMILES: C1CCC[O]1[Sm]12(N([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%1024567[c]2([cH]%10[cH]9[cH]8[cH]32)N1[Si](C)(C(C)(C)C)C)[Si](C)(C)C(C)(C)C)([O]1CCCC1)I
• 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: 11.253 ± 0.0013 Å
• b: 11.6706 ± 0.0013 Å
• c: 16.3205 ± 0.0019 Å
• α: 101.063 ± 0.001°
• β: 92.506 ± 0.001°
• γ: 118.408 ± 0.001°
• Cell volume: 1827.5 ± 0.4 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: 0.0451
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No