Information card for entry 2105655

Structure parameters

• Formula: C15 H42 Br N7 O4
• Calculated formula: C15 H14 Br N7 O4
• Title of publication: Hydrogen-Bonded Urea‒Anion Host Lattices. 6. New Inclusion Compounds of Urea with Tetra-<i>n</i>-propylammonium Halides
• Authors of publication: Li, Q.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 180 - 192
• a: 8.857 ± 0.002 Å
• b: 10.639 ± 0.002 Å
• c: 15.115 ± 0.003 Å
• α: 88.01 ± 0.03°
• β: 75.02 ± 0.03°
• γ: 66.72 ± 0.03°
• Cell volume: 1260.2 ± 0.6 ų
• Cell temperature: 291 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 significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No