Information card for entry 7716814

Structure parameters

• Formula: C54 H52 Cu2 O15 S5
• Calculated formula: C44 H22 Cu2 O10
• Title of publication: Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.
• Authors of publication: Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 14496 - 14504
• a: 10.4087 ± 0.0003 Å
• b: 36.7583 ± 0.0008 Å
• c: 15.4789 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5922.3 ± 0.3 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0758
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No