Information card for entry 7113681

Structure parameters

• Chemical name: bis(tetra-n-propylammonium) oxalate-thiourea (1/4)
• Formula: C30 H72 N10 O4 S4
• Calculated formula: C30.2 H72 N10 O4 S4
• Title of publication: Carbonate and oxalate dianions as prolific hydrogen-bond acceptors in supramolecular assembly
• Authors of publication: Lam, Chi-Keung; Mak, Thomas C. W.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 2660 - 2661
• a: 11.8476 ± 0.0007 Å
• b: 12.0889 ± 0.0007 Å
• c: 16.3965 ± 0.001 Å
• α: 74.427 ± 0.001°
• β: 87.521 ± 0.001°
• γ: 89.893 ± 0.002°
• Cell volume: 2259.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1142
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104864
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No