Information card for entry 7215775

Structure parameters

• Formula: C3.5 H19.7 F4 Fe4 N2 O14.43 P4
• Calculated formula: C3.5 H18.57 F4 Fe4 N2 O14.43 P4
• Title of publication: Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)
• Authors of publication: Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 13.6808 ± 0.0004 Å
• b: 12.634 ± 0.0002 Å
• c: 12.783 ± 0.0003 Å
• α: 90°
• β: 116.983 ± 0.004°
• γ: 90°
• Cell volume: 1968.94 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No