Information card for entry 2300480

Structure parameters

• Chemical name: (3-Amino-1,3-dimethylurea)dinitratolead(II)
• Formula: C3 H9 N5 O6 Pb S
• Calculated formula: C3 H9 N5 O6 Pb S
• SMILES: C1(=[S][Pb](ON(=O)=O)[NH2]N1)N(C)C.N(=O)(=O)[O-]
• Title of publication: Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?
• Authors of publication: Tan, Seng Lim; Ng, Seik Weng
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1443 - 1444
• a: 5.346 ± 0.0002 Å
• b: 13.8593 ± 0.0005 Å
• c: 14.1995 ± 0.0006 Å
• α: 90°
• β: 100.138 ± 0.004°
• γ: 90°
• Cell volume: 1035.64 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes