Information card for entry 7104863

Structure parameters

• Chemical name: bis(tetraethylammonium) carbonate hepta-thiourea
• Formula: C24 H68 N16 O3 S7
• Calculated formula: C24 H68 N16 O3 S7
• SMILES: C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=O)([O-])[O-].C(C)[N+](CC)(CC)CC.S=C(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(C)[N+](CC)(CC)CC
• 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: 25.462 ± 0.004 Å
• b: 12.901 ± 0.002 Å
• c: 17.355 ± 0.003 Å
• α: 90°
• β: 124.009 ± 0.003°
• γ: 90°
• Cell volume: 4725.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No