Information card for entry 1566181

Structure parameters

• Formula: C36 H52 N2 O2 P4
• Calculated formula: C36 H52 N2 O2 P4
• SMILES: P1(P=C(N(C1=O)c1c(cccc1C(C)C)C(C)C)C(C)(C)C)P1P=C(N(C1=O)c1c(cccc1C(C)C)C(C)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: 13.1651 ± 0.0006 Å
• b: 8.7775 ± 0.0004 Å
• c: 31.4231 ± 0.0017 Å
• α: 90°
• β: 91.15 ± 0.005°
• γ: 90°
• Cell volume: 3630.4 ± 0.3 ų
• Cell temperature: 109.96 ± 0.13 K
• Ambient diffraction temperature: 109.96 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No