Information card for entry 4076594

Structure parameters

• Chemical name: [K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)][C(NHiPr)(NiPr)]}*hex
• Formula: C56 H100 K N6 O6 P7
• Calculated formula: C56 H100 K N6 O6 P7
• Title of publication: Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions
• Authors of publication: Turbervill, Robert S. P.; Goicoechea, Jose M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2452
• a: 15.9418 ± 0.0002 Å
• b: 16.7687 ± 0.0002 Å
• c: 26.4606 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7073.53 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No