Information card for entry 2225565

Structure parameters

• Chemical name: <i>catena</i>-Poly[copper(II)-bis(μ-3-cyano-2-hydroxypropionato)- κ^3^<i>N</i>:<i>O</i>^1^,<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>N</i>- copper(II)]
• Formula: C8 H8 Cu N2 O6
• Calculated formula: C8 H8 Cu N2 O6
• SMILES: [Cu]123([OH][C@H](C(=O)O1)CC#[N][Cu]1[OH][C@@H](C(=O)O1)CC#[N]3)([N]#CC[C@H](O)C(=O)[O-])[OH][C@@H](C(=O)O2)CC#N
• Title of publication: <i>catena</i>-Poly[copper(II)-bis(μ-3-cyano-2-hydroxypropionato)-κ^3^<i>N</i>:<i>O</i>^1^,<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>N</i>-copper(II)]
• Authors of publication: Wang, Ji-Dong; Han, Shu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m357
• a: 6.3704 ± 0.0007 Å
• b: 8.4382 ± 0.001 Å
• c: 10.0412 ± 0.0012 Å
• α: 90°
• β: 104.492 ± 0.002°
• γ: 90°
• Cell volume: 522.59 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes