Information card for entry 4076591

Structure parameters

• Chemical name: [K-(18-crown-6)]2{H[P7C(NiPr)2]}
• Formula: C31 H63 K2 N2 O12 P7
• Calculated formula: C31 H63 K2 N2 O12 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: 49.6456 ± 0.0014 Å
• b: 9.7578 ± 0.0002 Å
• c: 20.2349 ± 0.0006 Å
• α: 90°
• β: 105.114 ± 0.003°
• γ: 90°
• Cell volume: 9463.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No