Information card for entry 1566183

Structure parameters

• Formula: C48 H62 Fe2 N2 O4 P4
• Calculated formula: C48 H62 Fe2 N2 O4 P4
• SMILES: C1(=O)N(C(=[P][P]21[Fe]1345(C#[O])([cH]6[cH]1[cH]3[cH]4[cH]56)[P]1(C(=O)N(C(=[P]1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[Fe]13452(C#[O])[cH]2[cH]1[cH]3[cH]4[cH]52)C(C)(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 15.9732 ± 0.0009 Å
• b: 9.7552 ± 0.0004 Å
• c: 16.3655 ± 0.0009 Å
• α: 90°
• β: 116.026 ± 0.007°
• γ: 90°
• Cell volume: 2291.5 ± 0.2 ų
• Cell temperature: 108.9 ± 0.3 K
• Ambient diffraction temperature: 108.9 ± 0.3 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: 0.0999
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No