Information card for entry 4312540

Structure parameters

• Formula: C22 H17 Co F12 N4 O5
• Calculated formula: C22 H17 Co F12 N4 O5
• Title of publication: Coordination Complexes of 1-(4-[N-tert-Butyl-N-aminoxyl]phenyl)-1H-1,2,4-triazole with Paramagnetic Transition Metal Dications
• Authors of publication: Lora M. Field; Paul M. Lahti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7447 - 7454
• a: 9.7367 ± 0.0001 Å
• b: 10.5646 ± 0.0002 Å
• c: 14.8865 ± 0.0003 Å
• α: 93.0482 ± 0.0006°
• β: 91.6094 ± 0.0006°
• γ: 115.471 ± 0.001°
• Cell volume: 1378.29 ± 0.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No