Information card for entry 7223906

Structure parameters

• Formula: C9 H9 Cu2 O9
• Calculated formula: C9 H5 Cu2 O9
• Title of publication: Cu(I)Cu(II)BTC, a microporous mixed-valence MOF via reduction of HKUST-1
• Authors of publication: Ahmed, Adham; Robertson, Craig; Steiner, Alexander; Whittles, Thomas; Ho, Alexandra; Dhanak, Vidod; Zhang, Haifei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 19.21 ± 0.0005 Å
• b: 19.21 Å
• c: 6.9158 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.1 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No