Information card for entry 2016566

Structure parameters

• Chemical name: Poly[[diaquabis(μ~2~-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-\ 4-carboxylato)copper(II)] dihydrate]
• Formula: C10 H20 Cu O16 P2
• Calculated formula: C10 H20 Cu O16 P2
• SMILES: C1C2(COP(=O)(O1)OC2)C(=O)O[Cu]([OH2])(OC(=O)C12COP(=O)(OC2)OC1)[OH2].O.O
• Title of publication: Poly[[diaquabis(μ~2~-1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylato)copper(II)] dihydrate]
• Authors of publication: Guo, Ming-Lin; Zang, Hong-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m173 - m175
• a: 8.34 ± 0.003 Å
• b: 8.863 ± 0.003 Å
• c: 12.565 ± 0.004 Å
• α: 90°
• β: 99.575 ± 0.005°
• γ: 90°
• Cell volume: 915.8 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes