Information card for entry 7229059

Structure parameters

• Formula: C16 H64 N6 O21 P4
• Calculated formula: C16 H64 N6 O21 P4
• Title of publication: Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.
• Authors of publication: Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 6.6881 ± 0.0003 Å
• b: 14.5479 ± 0.0008 Å
• c: 18.9197 ± 0.0012 Å
• α: 90°
• β: 95.223 ± 0.005°
• γ: 90°
• Cell volume: 1833.2 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No