Information card for entry 2012997

Structure parameters

• Formula: C6 H9 Cl Cu O5
• Calculated formula: C6 H9 Cl Cu O5
• SMILES: Cl[Cu]1(OC2=C(OC=CC2=[O]1)C)[OH2].O
• Title of publication: <i>catena</i>-Poly[[[aqua(2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ<i>O</i>^3^,<i>O</i>^4^)copper(II)]-μ-chloro] monohydrate]
• Authors of publication: Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m506 - m508
• a: 7.163 ± 0.002 Å
• b: 18.604 ± 0.002 Å
• c: 7.357 ± 0.002 Å
• α: 90°
• β: 113.38 ± 0.02°
• γ: 90°
• Cell volume: 899.9 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes