Information card for entry 4315322

Structure parameters

• Formula: C24 H58 N7 O6 P3
• Calculated formula: C24 H58 N7 O6 P3
• SMILES: P1(=O)([O-])NP(=NP(=[NH+]1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1.O.O.O.O
• Title of publication: Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2}, Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates {(PO)2O} of These Heterocycles
• Authors of publication: Joanne Ledger; Ramamoorthy Boomishankar; Alexander Steiner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3896 - 3904
• a: 11.251 ± 0.002 Å
• b: 19.868 ± 0.004 Å
• c: 29.263 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6541 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No