Information card for entry 4329697

Structure parameters

• Formula: C60 H60 B2 Cl2 Co2 F8 N20
• Calculated formula: C60 H60 B2 Cl2 Co2 F8 N20
• Title of publication: Capped-Tetrahedrally Coordinated Fe(II) and Co(II) Complexes Using a "Click"-Derived Tripodal Ligand: Geometric and Electronic Structures
• Authors of publication: David Schweinfurth; Serhiy Demeshko; Marat M. Khusniyarov; Sebastian Dechert; Venkatanarayana Gurram; Michael R. Buchmeiser; Franc Meyer; Biprajit Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7592 - 7597
• a: 12.4903 ± 0.0002 Å
• b: 24.7645 ± 0.0005 Å
• c: 12.1277 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3751.29 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No