Information card for entry 7715985

Structure parameters

• Chemical name: [Cp*Fe(?5-1,2,3-P3C2tBu2)]
• Formula: C20 H33 Fe P3
• Calculated formula: C20 H33 Fe P3
• SMILES: [Fe]12345678([p]9[c]4([c]5([p]1[p]29)C(C)(C)C)C(C)(C)C)[c]1([c]8([c]6([c]7([c]31C)C)C)C)C
• Title of publication: Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.
• Authors of publication: Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10113 - 10119
• a: 10.1779 ± 0.0002 Å
• b: 12.7916 ± 0.0002 Å
• c: 16.426 ± 0.0002 Å
• α: 90°
• β: 107.87 ± 0.002°
• γ: 90°
• Cell volume: 2035.35 ± 0.06 ų
• Cell temperature: 122.97 ± 0.16 K
• Ambient diffraction temperature: 122.97 ± 0.16 K
• Number of distinct elements: 4
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No