Information card for entry 7208505

Structure parameters

• Formula: C29 H53 N4 O7 P
• Calculated formula: C29 H53 N4 O7 P
• SMILES: P(=O)(O)(O)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC.O=N(=O)c1cc(NCc2ccccc2)c(N)cc1.O
• Title of publication: Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer
• Authors of publication: Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 6029
• a: 9.7398 ± 0.0015 Å
• b: 14.884 ± 0.002 Å
• c: 23.545 ± 0.004 Å
• α: 90°
• β: 98.88 ± 0.002°
• γ: 90°
• Cell volume: 3372.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No