Information card for entry 7038718

Structure parameters

• Formula: C24 H30 F8 Mn N4 O2 P
• Calculated formula: C24 H30 F8 Mn N4 O2 P
• Title of publication: Challenges in assignment of orbital populations in a high spin manganese(iii) complex.
• Authors of publication: Fitzpatrick, A. J.; Stepanovic, S.; Müller-Bunz, H; Gruden-Pavlović, M A; García-Fernández, P; Morgan, G. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6702 - 6708
• a: 10.5191 ± 0.0001 Å
• b: 17.2551 ± 0.0002 Å
• c: 14.5888 ± 0.0002 Å
• α: 90°
• β: 95.3305 ± 0.0009°
• γ: 90°
• Cell volume: 2636.53 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No