Information card for entry 7208508

Structure parameters

• Formula: C28 H52 N5 O7 P
• Calculated formula: C28 H52 N5 O7 P
• SMILES: P(=O)([O-])(O)O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.Nc1c(NCc2ncccc2)cc(N(=O)=O)cc1
• 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: 9.602 ± 0.005 Å
• b: 13.194 ± 0.005 Å
• c: 15.104 ± 0.005 Å
• α: 113.014 ± 0.005°
• β: 94.332 ± 0.005°
• γ: 105.702 ± 0.005°
• Cell volume: 1659.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No