Information card for entry 4112115

Structure parameters

• Formula: C19 H46 B F4 N10 P
• Calculated formula: C19 H46 B F4 N10 P
• SMILES: [P+](/N=C(/N(C)C)N(C)C)(/N=C(/N(C)C)N(C)C)(/N=C(N(C)C)/N(C)C)NC(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase
• Authors of publication: Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17656 - 17666
• a: 12.923 ± 0.002 Å
• b: 28.409 ± 0.003 Å
• c: 16.285 ± 0.002 Å
• α: 90°
• β: 107.71 ± 0.01°
• γ: 90°
• Cell volume: 5695.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No