Information card for entry 7107257

Structure parameters

• Common name: (K-(18-crown-6))2(H(P7C(NDipp)2))
• Chemical name: [K-(18-crown-6)]2{H[P7C(NDipp)2]}
• Formula: C49 H83 K2 N2 O12 P7
• Calculated formula: C49 H83 K2 N2 O12 P7
• Title of publication: Studies on the reactivity of group 15 Zintl ions with carbodiimides: synthesis and characterization of a heptaphosphaguanidine dianion
• Authors of publication: Robert S. P. Turbervill; Jose M. Goicoechea
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1470
• a: 14.1477 ± 0.0001 Å
• b: 19.1536 ± 0.0002 Å
• c: 69.3584 ± 0.0008 Å
• α: 90°
• β: 92.246 ± 0.001°
• γ: 90°
• Cell volume: 18780.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No