Information card for entry 7700041

Structure parameters

• Formula: C44 H42 N4 O22 Zn6
• Calculated formula: C44 H42 N4 O22 Zn6
• Title of publication: Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions
• Authors of publication: Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 14.03 ± 0.004 Å
• b: 23.66 ± 0.004 Å
• c: 15.82 ± 0.004 Å
• α: 90°
• β: 113.39 ± 0.05°
• γ: 90°
• Cell volume: 4820 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P2yab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.72656 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No