Information card for entry 7715366

Structure parameters

• Formula: C36 H42 F21 N4 Nd O3
• Calculated formula: C36 H42 F21 N4 Nd O3
• SMILES: [Nd]123456OC(=CC(=[N]3CC[N]6(CC[N]4=C(C=C(O1)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)CC[N]5=C(C=C(O2)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Volatile lanthanide complexes with fluorinated heptadentate ligands.
• Authors of publication: Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 2998 - 3009
• a: 7.2329 ± 0.0007 Å
• b: 14.5721 ± 0.0015 Å
• c: 21.231 ± 0.002 Å
• α: 92.033 ± 0.005°
• β: 90.548 ± 0.005°
• γ: 92.205 ± 0.005°
• Cell volume: 2234.5 ± 0.4 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No