Information card for entry 7115605

Structure parameters

• Formula: C46 H26 Cu F36 N4 O6
• Calculated formula: C46 H26 Cu F36 N4 O6
• Title of publication: The densely fluorinated nanospace of a porous coordination polymer composed of perfluorobutyl-functionalized ligands
• Authors of publication: Hyung Joon Jeon; Ryotaro Matsuda; Prakash Kanoo; Hiroshi Kajiro; Liangchun Li; Hiroshi Sato; Yongtai Zheng; Susumu Kitagawa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10861
• a: 10.3845 ± 0.0009 Å
• b: 10.7053 ± 0.0009 Å
• c: 27.4 ± 0.003 Å
• α: 84.153 ± 0.004°
• β: 89.737 ± 0.005°
• γ: 64.833 ± 0.003°
• Cell volume: 2740 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No