Information card for entry 1551637

Structure parameters

• Formula: C26 H28 N O3 P
• Calculated formula: C26 H28 N O3 P
• SMILES: P(=O)([O-])(c1ccccc1)c1ccccc1.O.[NH2+](Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis and Crystal Structure of a New Hydrated Phosphinate Salt, [(C₆H₅CH₂)₂NH₂][(C₆H₅)₂P(O)(O)]·H₂O
• Authors of publication: MARANDI, Pari; RAISSI SHABARI, Akbar; KHOSRAVI, Morteza; POURAYOUBI, Mehrdad
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 37
• a: 13.273 ± 0.003 Å
• b: 9.7015 ± 0.0019 Å
• c: 18.444 ± 0.007 Å
• α: 90°
• β: 109.5 ± 0.03°
• γ: 90°
• Cell volume: 2238.8 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No