Information card for entry 1565356

Structure parameters

• Formula: C39 H28 Cl2 Cu F6 N8 O9
• Calculated formula: C39 H28 Cl2 Cu F6 N8 O9
• Title of publication: Reversal of magnetic exchange coupling between copper(II) and Blatter radical depending on the coordination environment
• Authors of publication: Sidharth, Thulaseedharan Nair Sailaja; Nasani, Rajendar; Gupta, Arindam; Sooraj, Bhuvanachandran Nair Sreekala; Roy, Subhadip; Mondal, Arpan; Konar, Sanjit
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119395
• a: 8.4593 ± 0.0006 Å
• b: 28.734 ± 0.002 Å
• c: 16.6377 ± 0.0012 Å
• α: 90°
• β: 92.042 ± 0.003°
• γ: 90°
• Cell volume: 4041.5 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 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: 0.0936
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No