Information card for entry 2232709

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chlorido(1,10-phenanthroline)copper(II)]-μ- {2-[(1<i>S</i>,3<i>S</i>)-3-acetyl-2,2-dimethylcyclobutyl]acetato}]
• Formula: C22 H23 Cl Cu N2 O3
• Calculated formula: C22 H23 Cl Cu N2 O3
• SMILES: [Cu]1(Cl)(OC(=O)C[C@H]2C(C)(C)[C@H](C2)C(=O)C)([n]2cccc3ccc4ccc[n]1c4c23)[O]=C(O[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)Cl)C[C@@H]1C(C)(C)[C@@H](C1)C(=O)C
• Title of publication: <i>catena</i>-Poly[[chlorido(1,10-phenanthroline)copper(II)]-μ-{2-[(1<i>S</i>,3<i>S</i>)-3-acetyl-2,2-dimethylcyclobutyl]acetato}]
• Authors of publication: Ma, Shi-ying; Li, Yan-fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1789
• a: 14.6143 ± 0.0011 Å
• b: 14.492 ± 0.0012 Å
• c: 9.8419 ± 0.0008 Å
• α: 90°
• β: 98.208 ± 0.001°
• γ: 90°
• Cell volume: 2063.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes