Information card for entry 7230392

Structure parameters

• Formula: C15 H17 I N O3
• Calculated formula: C15 H17 I N O3
• Title of publication: Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.
• Authors of publication: Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 11196 - 11205
• a: 9.0407 ± 0.0016 Å
• b: 9.359 ± 0.002 Å
• c: 10.191 ± 0.0019 Å
• α: 105.821 ± 0.003°
• β: 94.648 ± 0.003°
• γ: 105.915 ± 0.004°
• Cell volume: 786.4 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No