Information card for entry 7716817

Structure parameters

• Formula: C60.5 H60.5 Cu2 N5.5 O15.5
• 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: 19.1907 ± 0.0003 Å
• b: 14.79129 ± 0.00019 Å
• c: 22.8997 ± 0.0006 Å
• α: 90°
• β: 107.262 ± 0.002°
• γ: 90°
• Cell volume: 6207.4 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2859
• Weighted residual factors for all reflections included in the refinement: 0.3179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No