Information card for entry 7062324

Structure parameters

• Formula: C23 H31 Fe O P Se
• Calculated formula: C23 H31 Fe O P Se
• SMILES: [Se]=P(C(=O)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(C1CCCCC1)C1CCCCC1
• Title of publication: Assessing the role of substituents in ferrocene acylphosphines and their impact on gold-catalysed reactions
• Authors of publication: Vosáhlo, Petr; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 4510 - 4520
• a: 14.2338 ± 0.0003 Å
• b: 10.1725 ± 0.0002 Å
• c: 15.2719 ± 0.0003 Å
• α: 90°
• β: 95.577 ± 0.001°
• γ: 90°
• Cell volume: 2200.8 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0179
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No