Information card for entry 4121219

Structure parameters

• Common name: TPPN x HN(SO2CF3)2
• Chemical name: 1,8-Bis(trispyrrolidinophosphazenyl)naphthalene x HN(SO2CF3)2
• Formula: C36 H55 F6 N9 O4 P2 S2
• Calculated formula: C36 H55 F6 N9 O4 P2 S2
• Title of publication: A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton
• Authors of publication: Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17768 - 17774
• a: 17.6867 ± 0.0008 Å
• b: 17.8745 ± 0.0006 Å
• c: 26.9816 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8530 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.687
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No