Information card for entry 4110418

Structure parameters

• Formula: C21 H19 Co F9 N4 O2 P1.5
• Calculated formula: C21 H19 Co F9 N4 O2 P1.5
• Title of publication: Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex
• Authors of publication: Jun Tao; Hiroyuki Maruyama; Osamu Sato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1790 - 1791
• a: 20.058 ± 0.004 Å
• b: 16.095 ± 0.003 Å
• c: 16.266 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5251.2 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No