Information card for entry 7226235

Structure parameters

• Chemical name: DUT-125
• Formula: C68 H48 Cu3 N5.33 O10
• Calculated formula: C64.24 H42.24 Cu3 N5.89333 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: 35.51 ± 0.004 Å
• b: 35.51 ± 0.004 Å
• c: 35.51 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44777 ± 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: 0.1009
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No