Information card for entry 7031983

Structure parameters

• Formula: C31 H30 F12 Mn N2 O6 P
• Calculated formula: C31 H30 F12 Mn N2 O6 P
• Title of publication: Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).
• Authors of publication: Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14889 - 14901
• a: 28.2516 ± 0.0007 Å
• b: 28.2516 ± 0.0007 Å
• c: 17.7052 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14131.5 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No