Information card for entry 7709224

Structure parameters

• Formula: C72.05 H46 B2 Co F38 N20 O0.65
• Calculated formula: C72.05 H46 B2 Co F38 N20 O0.65
• Title of publication: Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.
• Authors of publication: Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 48
• Pages of publication: 18097 - 18106
• a: 11.6982 ± 0.001 Å
• b: 18.9258 ± 0.0013 Å
• c: 19.4058 ± 0.0016 Å
• α: 68.616 ± 0.002°
• β: 80.878 ± 0.003°
• γ: 86.182 ± 0.003°
• Cell volume: 3949.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No