Information card for entry 7710469

Structure parameters

• Formula: C60 H54 B2 Co F14 N20
• Calculated formula: C60 H54 B2 Co F14 N20
• Title of publication: Fluorinated Click-Derived Tripodal Ligands Drive Spin Crossover in both Iron(II) and Cobalt(II) Complexes
• Authors of publication: Nößler, Maite; Hunger, David; Neuman, Nicolás Ignacio; Reimann, Marc; Reichert, Felix; Winkler, Mario; Klein, Johannes; Bens, Tobias; Suntrup, Lisa; Demeshko, Serhiy; Stubbe, Jessica; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.384 ± 0.006 Å
• b: 14.984 ± 0.006 Å
• c: 15.384 ± 0.006 Å
• α: 91.161 ± 0.012°
• β: 107.864 ± 0.013°
• γ: 93.211 ± 0.013°
• Cell volume: 3148 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1004
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1607
• 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: Yes
• Has Fobs: No