Information card for entry 4117072

Structure parameters

• Formula: C6 H16 N10 Ni O6
• Calculated formula: C6 H14 N8 Ni O8
• 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: 6.334 ± 0.001 Å
• b: 16.022 ± 0.002 Å
• c: 7.017 ± 0.001 Å
• α: 90°
• β: 114.13 ± 0.02°
• γ: 90°
• Cell volume: 649.88 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.1025
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No