Information card for entry 7225064

Structure parameters

• Formula: C26 H48 N2 O12 P4
• Calculated formula: C26 H48 N2 O12 P4
• SMILES: P(=O)([O-])(O)CCCCCCCCP(=O)(O)O.P(=O)(O)(O)CCCCCCCCP(=O)(O)[O-].[nH+]1ccc(c2cc[nH+]cc2)cc1
• Title of publication: A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids
• Authors of publication: van Megen, M.; Frank, W.; Reiss, G. J.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3574
• a: 9.1052 ± 0.0002 Å
• b: 9.5324 ± 0.0003 Å
• c: 20.3596 ± 0.0006 Å
• α: 79.976 ± 0.002°
• β: 86.857 ± 0.002°
• γ: 69.836 ± 0.002°
• Cell volume: 1633.45 ± 0.08 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No