Information card for entry 7006373

Structure parameters

• Common name: (Co(Me4cyclam)(trop))PF6
• Formula: C42 H74 Co2 F12 N8 O4 P2
• Calculated formula: C42 H42 Co2 F12 N8 O4 P2
• Title of publication: The influence of ligand field effects on the magnetic exchange of high-spin Co(II)-semiquinonate complexes.
• Authors of publication: Bencini, Alessandro; Beni, Alessandra; Costantino, Ferdinando; Dei, Andrea; Gatteschi, Dante; Sorace, Lorenzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 722 - 729
• a: 12.19 ± 0.004 Å
• b: 15.418 ± 0.003 Å
• c: 28.509 ± 0.006 Å
• α: 90°
• β: 98.726 ± 0.003°
• γ: 90°
• Cell volume: 5296 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No