Information card for entry 7715360

Structure parameters

• Formula: C21 H15 Er F18 N4 O3
• Calculated formula: C21 H15 Er F18 N4 O3
• SMILES: [Er]123456OC(=CC(=[N]3CC[N]4(CC[N]5=C(C=C(O1)C(F)(F)F)C(F)(F)F)CC[N]6=C(C=C(O2)C(F)(F)F)C(F)(F)F)C(F)(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: 8.156 ± 0.0008 Å
• b: 14.0106 ± 0.0014 Å
• c: 14.8598 ± 0.0015 Å
• α: 117.742 ± 0.005°
• β: 93.538 ± 0.005°
• γ: 91.261 ± 0.005°
• Cell volume: 1497.5 ± 0.3 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: 0.0266
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No