Information card for entry 7230391

Structure parameters

• Formula: C40 H35 Cl4 N4 O3
• Calculated formula: C40 H35 Cl4 N4 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: 16.901 ± 0.003 Å
• b: 9.2057 ± 0.0013 Å
• c: 47.963 ± 0.008 Å
• α: 90°
• β: 91.149 ± 0.006°
• γ: 90°
• Cell volume: 7461 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.281
• Weighted residual factors for all reflections included in the refinement: 0.3125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No