Information card for entry 7226234

Structure parameters

• Chemical name: DUT-124
• Formula: C64 H48 Cu2 N1.33 O10
• Calculated formula: C64 H48 Cu2 N1.33333 O10
• Title of publication: Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?
• Authors of publication: Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8164
• a: 35.4 ± 0.004 Å
• b: 35.4 ± 0.004 Å
• c: 35.4 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44362 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.3135
• Weighted residual factors for all reflections included in the refinement: 0.3458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No