Information card for entry 7715987

Structure parameters

• Chemical name: tBu4C4P6
• Formula: C20 H36 P6
• Calculated formula: C20 H36 P6
• SMILES: P12P3P(P4P1C(=C(P34)C(C)(C)C)C(C)(C)C)C(=C2C(C)(C)C)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: 19.2177 ± 0.0005 Å
• b: 12.5176 ± 0.0003 Å
• c: 22.1442 ± 0.0006 Å
• α: 90°
• β: 112.755 ± 0.003°
• γ: 90°
• Cell volume: 4912.4 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No