Information card for entry 7117298

Structure parameters

• Chemical name: Cu(I)Cu(II) complex
• Formula: C6 H4 Cu2 N9 O1.5
• Calculated formula: C6 H3 Cu2 N9 O1.5
• Title of publication: Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction
• Authors of publication: Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10353
• a: 24.338 ± 0.005 Å
• b: 9.4877 ± 0.0019 Å
• c: 16.502 ± 0.003 Å
• α: 90°
• β: 119.89 ± 0.03°
• γ: 90°
• Cell volume: 3303.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No