Information card for entry 4117068

Structure parameters

• Formula: C6 H10 Cu0.5 N6 Na O9
• Calculated formula: C6 H10 Cu0.5 N6 Na O9
• SMILES: [Cu]([OH2])([OH2])(N1C(=O)NC(=O)NC1=O)N1C(=O)NC(=O)NC1=O.[Na+].[Na+].N1=C([O-])NC(=O)NC1=O.O.O.N1=C([O-])NC(=O)NC1=O.O.O
• Title of publication: The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types
• Authors of publication: Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Journal issue: 49
• Pages of publication: 11894 - 11902
• a: 6.7552 ± 0.0008 Å
• b: 10.4554 ± 0.0011 Å
• c: 10.4455 ± 0.0011 Å
• α: 62.819 ± 0.006°
• β: 71.815 ± 0.006°
• γ: 83.688 ± 0.005°
• Cell volume: 623.03 ± 0.13 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.0732
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No