Information card for entry 4117070

Structure parameters

• Formula: C12 H26 Cu2 N18 O12
• Calculated formula: C12 Cu2 N18 O12
• SMILES: C1(=O)N([Cu](N2C(=O)NC(=O)NC2=O)([NH3])[NH3])C(=O)NC(=O)N1.C1(=O)N([Cu](N2C(=O)NC(=O)NC2=O)([NH3])([NH3])([NH3])[NH3])C(=O)NC(=O)N1
• 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: 7.143 ± 0.001 Å
• b: 8.683 ± 0.002 Å
• c: 11.602 ± 0.002 Å
• α: 102.12 ± 0.03°
• β: 101.24 ± 0.03°
• γ: 106.22 ± 0.03°
• Cell volume: 650.4 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections: 0.3366
• Weighted residual factors for significantly intense reflections: 0.2626
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No