Information card for entry 4076592

Structure parameters

• Chemical name: [K(2,2,2-crypt)][HPC(NHDipp)(NDipp)]
• Formula: C43 H72 K N4 O6 P7
• Calculated formula: C43 H72 K N4 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: 20.548 ± 0.0005 Å
• b: 16.9255 ± 0.0003 Å
• c: 15.8004 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5495.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No