Information card for entry 2105654

Structure parameters

• Formula: C15 H40 Cl N7 O3
• Calculated formula: C15 H40 Cl N7 O3
• 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: 9.866 ± 0.002 Å
• b: 16.274 ± 0.003 Å
• c: 15.277 ± 0.003 Å
• α: 90°
• β: 103.36 ± 0.03°
• γ: 90°
• Cell volume: 2386.5 ± 0.9 ų
• Cell temperature: 291 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No