Information card for entry 7229586

Structure parameters

• Formula: C26 H29 Cl14 Cu O5
• Calculated formula: C19 H14 Cu O5
• Title of publication: A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand
• Authors of publication: Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 19.302 ± 0.005 Å
• b: 21.805 ± 0.004 Å
• c: 26.364 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11096 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.2219
• Residual factor for significantly intense reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.3213
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No