Information card for entry 4076595

Structure parameters

• Chemical name: [K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)][C(NHCy)(NCy)]}*0.65THF*0.35hex
• Formula: C60.69 H104.08 K N6 O6.65 P7
• Calculated formula: C60.6922 H104.077 K N6 O6.6539 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: 16.0447 ± 0.0002 Å
• b: 26.4964 ± 0.0003 Å
• c: 16.9173 ± 0.0001 Å
• α: 90°
• β: 91.488 ± 0.001°
• γ: 90°
• Cell volume: 7189.57 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No