Information card for entry 2100600

Structure parameters

• Formula: C12 H16 N12 O16 Rb3
• Calculated formula: C12 H16 N12 O16 Rb3
• SMILES: C1(=NC(=O)NC(=O)N1)[O-].[Rb+].C1(NC(=O)NC([O-])=N1)=O.[Rb+].O.O.O.O.[Rb+].C1([O-])=NC(=O)NC(=O)N1.C1(=O)NC(=O)NC(=O)N1
• Title of publication: Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
• Authors of publication: G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: 798 - 807
• a: 13.1499 ± 0.0015 Å
• b: 16.6185 ± 0.0019 Å
• c: 11.8444 ± 0.0013 Å
• α: 90°
• β: 99.584 ± 0.002°
• γ: 90°
• Cell volume: 2552.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No