Information card for entry 1566184

Structure parameters

• Formula: C55 H73 Fe2 N2 O5 P4
• Calculated formula: C55 H73 Fe2 N2 O5 P4
• Title of publication: Anionic 1-Aza-3,4-diphospholides as redox active ligands
• Authors of publication: Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2021
• Journal volume: 520
• Pages of publication: 120274
• a: 15.8927 ± 0.0004 Å
• b: 24.8383 ± 0.0005 Å
• c: 13.7936 ± 0.0005 Å
• α: 90°
• β: 98.503 ± 0.003°
• γ: 90°
• Cell volume: 5385.1 ± 0.3 ų
• Cell temperature: 106.11 ± 0.1 K
• Ambient diffraction temperature: 106.11 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No