Information card for entry 4076593

Structure parameters

• Chemical name: [K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)]2}*THF
• Formula: C72 H114 K N6 O7 P7
• Calculated formula: C72 H114 K N6 O7 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: 15.6647 ± 0.0003 Å
• b: 15.127 ± 0.0003 Å
• c: 17.1338 ± 0.0004 Å
• α: 90°
• β: 91.22 ± 0.002°
• γ: 90°
• Cell volume: 4059.1 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No