Information card for entry 7113725

Structure parameters

• Formula: C18 H50 Cl2 N9 P3
• Calculated formula: C18 H50 Cl2 N9 P3
• SMILES: C(C)(C)NP1(=[NH+]P(=[NH+]P(=N1)(NC(C)C)NC(C)C)(NC(C)C)NC(C)C)NC(C)C.[Cl-].[Cl-]
• Title of publication: In situ complexation of lithium chloride by amphiprotic cyclophosphazenes
• Authors of publication: Richards, Philip I.; Benson, Mark A.; Steiner, Alexander
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1392 - 1393
• a: 14.0168 ± 0.0017 Å
• b: 17.14 ± 0.002 Å
• c: 13.1283 ± 0.0016 Å
• α: 90°
• β: 100.42 ± 0.002°
• γ: 90°
• Cell volume: 3102 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103696
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No