Information card for entry 7112261

Structure parameters

• Formula: C23.2 H20.8 Cu2 N6.4 O8.4
• Calculated formula: C23.2 H20.8 Cu2 N6.4 O8.4
• Title of publication: Oxygen and methanol mediated irreversible coordination polymer structural transformation from a 3D Cu(I)-framework to a 1D Cu(II)-chain
• Authors of publication: Jing-Yuan Ge; Jian-Cheng Wang; Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4434
• a: 24.119 ± 0.002 Å
• b: 10.2056 ± 0.0007 Å
• c: 10.8193 ± 0.0007 Å
• α: 90°
• β: 91.64 ± 0.006°
• γ: 90°
• Cell volume: 2662.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1142
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.2788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No