Information card for entry 7112262

Structure parameters

• Formula: C23 H21 Cu N5 O6
• Calculated formula: C23 H21 Cu N5 O6
• 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: 8.281 ± 0.003 Å
• b: 15.288 ± 0.006 Å
• c: 18.093 ± 0.007 Å
• α: 90°
• β: 96.566 ± 0.005°
• γ: 90°
• Cell volume: 2275.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No