Information card for entry 7228827

Structure parameters

• Formula: C12 H31 N O8 P2
• Calculated formula: C12 H31 N O8 P2
• SMILES: P(=O)(OC(C)C)([O-])O.P(=O)(OC(C)C)(O)O.[NH3+]C1CCCCC1
• Title of publication: Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates
• Authors of publication: Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 13.596 ± 0.007 Å
• b: 10.066 ± 0.005 Å
• c: 15.921 ± 0.009 Å
• α: 90°
• β: 111.966 ± 0.009°
• γ: 90°
• Cell volume: 2020.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No