Information card for entry 4110419

Structure parameters

• Formula: C21 H19 Co F6 N4 O2 P
• Calculated formula: C21 H19 Co F6 N4 O2 P
• 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: 11.478 ± 0.002 Å
• b: 16.101 ± 0.003 Å
• c: 11.446 ± 0.002 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 2114.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1268
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No