Information card for entry 4511190

Structure parameters

• Common name: [2(CH3)4N]2(C4H2N3O5)(NH2)2CS
• Formula: C17 H32 N10 O10 S
• Calculated formula: C17 H32 N10 O10 S
• Title of publication: Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate
• Authors of publication: Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 308
• a: 10.4299 ± 0.0016 Å
• b: 11.3508 ± 0.0019 Å
• c: 12.0925 ± 0.0019 Å
• α: 108.958 ± 0.002°
• β: 93.422 ± 0.003°
• γ: 96.179 ± 0.003°
• Cell volume: 1339.2 ± 0.4 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: 0.0949
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No