Information card for entry 7041965

Structure parameters

• Formula: C76.8 H73.2 N5.6 O17.6
• Calculated formula: C76.8 H73.2 N5.6 O17.6
• 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: 8.0014 ± 0.0003 Å
• b: 14.3032 ± 0.0006 Å
• c: 15.5636 ± 0.0008 Å
• α: 76.9517 ± 0.0016°
• β: 79.6241 ± 0.0015°
• γ: 81.52 ± 0.002°
• Cell volume: 1696.19 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No