Information card for entry 2103841

Structure parameters

• Chemical name: Hexamethylenetetramine‒fumaric acid‒succinic acid (1/0.726/0.224)
• Formula: C10 H16.548 N4 O4
• Calculated formula: C10 H16.548 N4 O4
• Title of publication: Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry
• Authors of publication: Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 100 - 117
• a: 6.2877 ± 0.0002 Å
• b: 15.9241 ± 0.0006 Å
• c: 11.3315 ± 0.0005 Å
• α: 90°
• β: 93.8556 ± 0.0013°
• γ: 90°
• Cell volume: 1132.01 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes