Information card for entry 1549551

Structure parameters

• Formula: C4 H14 Cu2 O14 P2
• Calculated formula: C4 H14 Cu2 O14 P2
• SMILES: [Cu]12(OC(=O)CP(=[O]1)(O[Cu]1(OC(=O)CP(=[O]1)(O2)O)([OH2])[OH2])O)([OH2])[OH2]
• Title of publication: Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates
• Authors of publication: Köferstein, Roberto; Arnold, Michael; Robl, Christian
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2017
• Journal volume: 643
• Journal issue: 3
• Pages of publication: 276
• a: 16.233 ± 0.002 Å
• b: 6.24 ± 0.001 Å
• c: 14.955 ± 0.002 Å
• α: 90°
• β: 122.45 ± 0.01°
• γ: 90°
• Cell volume: 1278.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.0742
• Goodness-of-fit parameter for all reflections: 1.412
• Goodness-of-fit parameter for significantly intense reflections: 1.473
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No