Information card for entry 7110786

Structure parameters

• Formula: C36 H72 N9 P3
• Calculated formula: C36 H72 N9 P3
• SMILES: P1(=NP(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
• Title of publication: cis-Trihydrogen cyclotriphosphazenates—acidic anions in strongly basic media
• Authors of publication: Lawson, Gavin T.; Rivals, Frederic; Tascher, Mathieu; Jacob, Chacko; Bickley, Jamie F.; Steiner, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 341
• a: 11.039 ± 0.004 Å
• b: 12.001 ± 0.004 Å
• c: 16.651 ± 0.006 Å
• α: 95.81 ± 0.04°
• β: 91.38 ± 0.04°
• γ: 108.77 ± 0.03°
• Cell volume: 2074.1 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1726
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No