Information card for entry 1566185

Structure parameters

• Formula: C46 H62 Fe2 N2 O9 P4
• Calculated formula: C46 H62 Fe2 N2 O9 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: 10.9061 ± 0.0003 Å
• b: 14.4034 ± 0.0003 Å
• c: 18.4848 ± 0.0005 Å
• α: 103.711 ± 0.0019°
• β: 91.106 ± 0.002°
• γ: 112.185 ± 0.002°
• Cell volume: 2592.93 ± 0.12 ų
• Cell temperature: 106.8 ± 0.4 K
• Ambient diffraction temperature: 106.8 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• 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