Information card for entry 7041968

Structure parameters

• Formula: C89.5 H86.5 Cu N7.5 O19.5
• Calculated formula: C89.72 H86.984 Cu N7.544 O19.544
• Title of publication: Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel.
• Authors of publication: Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2462 - 2470
• a: 17.2427 ± 0.0006 Å
• b: 14.0544 ± 0.0005 Å
• c: 17.554 ± 0.0006 Å
• α: 90°
• β: 103.263 ± 0.002°
• γ: 90°
• Cell volume: 4140.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.35 K
• Number of distinct elements: 5
• 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: 0.1677
• Residual factor for significantly intense reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.3433
• Weighted residual factors for all reflections included in the refinement: 0.3856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.493
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No