Information card for entry 4342837

Structure parameters

• Formula: C39 H28 B2 Cl3 Co F8 N13
• Calculated formula: C39 H28 B2 Cl3 Co F8 N13
• 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: 12.7499 ± 0.0005 Å
• b: 12.8625 ± 0.0004 Å
• c: 13.4273 ± 0.0005 Å
• α: 83.253 ± 0.003°
• β: 87.858 ± 0.003°
• γ: 77.55 ± 0.003°
• Cell volume: 2135.18 ± 0.14 ų
• Cell temperature: 265 ± 2 K
• Ambient diffraction temperature: 265 ± 2 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: 0.08
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No