Information card for entry 7715986

Structure parameters

• Chemical name: [Rb([18]crown-6)][1,3-P2C3tBu3]
• Formula: C27 H51 O6 P2 Rb
• Calculated formula: C27 H51 O6 P2 Rb
• SMILES: [Rb]12345[O]6CC[O]2CC[O]5CC[O]1CC[O]3CC[O]4CC6.[p-]1c(pc(c1C(C)(C)C)C(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: 9.3862 ± 0.0002 Å
• b: 10.5727 ± 0.0002 Å
• c: 16.3426 ± 0.0004 Å
• α: 90.511 ± 0.002°
• β: 98.341 ± 0.002°
• γ: 101.542 ± 0.002°
• Cell volume: 1570.99 ± 0.06 ų
• Cell temperature: 123.02 ± 0.1 K
• Ambient diffraction temperature: 123.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No