Information card for entry 7211055

Structure parameters

• Formula: C19 H17 Cu F6 N3 O5
• Calculated formula: C19 H17 Cu F6 N3 O5
• Title of publication: [2 + 2] Cycloaddition reaction as a tool to monitor the formation of thermodynamically stable ladder coordination polymers
• Authors of publication: Chanthapally, Anjana; Oh, Wei Ting; Vittal, Jagadese J.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9324
• a: 13.9323 ± 0.0011 Å
• b: 9.9261 ± 0.0008 Å
• c: 17.7413 ± 0.0013 Å
• α: 90°
• β: 112.95 ± 0.002°
• γ: 90°
• Cell volume: 2259.3 ± 0.3 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: 0.0773
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No