Information card for entry 4342840

Structure parameters

• Formula: C30 H40 B2 Cu F8 N10 O4
• Calculated formula: C30 H40 B2 Cu F8 N10 O4
• Title of publication: Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.
• Authors of publication: Miller, Reece G.; Brooker, Sally
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5398 - 5409
• a: 16.3625 ± 0.0001 Å
• b: 10.8968 ± 0.0001 Å
• c: 21.5483 ± 0.0002 Å
• α: 90°
• β: 108.094 ± 0.001°
• γ: 90°
• Cell volume: 3652.04 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No