Information card for entry 7055044

Structure parameters

• Formula: C52 H92 Fe2 I2 N4 O2 Pr2 Si4
• Calculated formula: C52 H92 Fe2 I2 N4 O2 Pr2 Si4
• SMILES: C1CCC[O]1[Pr]123([I][Pr]45([I]2)(N([c]26[cH]7[cH]8[cH]9[cH]2[Fe]2%10%11%1256789[c]5([cH]%12[cH]%11[cH]%10[cH]25)N4[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[O]2CCCC2)N([c]24[cH]5[cH]6[cH]7[cH]2[Fe]289%1014567[c]1([cH]2[cH]8[cH]9[cH]%101)N3[Si](C)(C)C(C)(C)C)[Si](C)(C(C)(C)C)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: 14.879 ± 0.004 Å
• b: 13.738 ± 0.004 Å
• c: 15.468 ± 0.004 Å
• α: 90°
• β: 91.074 ± 0.003°
• γ: 90°
• Cell volume: 3161.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No