Information card for entry 2219789

Structure parameters

• Chemical name: Poly[[diaqua-μ~2~-hydroxido-(μ~7~-2-phosphonatoethanesulfonato)dicopper(II)] trihydrate]
• Formula: C2 H15 Cu2 O12 P S
• Calculated formula: C2 H15 Cu2 O12 P S
• Title of publication: Poly[[diaqua-μ~2~-hydroxido-(μ~7~-2-phosphonatoethanesulfonato)dicopper(II)] trihydrate]
• Authors of publication: Sonnauer, Andreas; Lieb, Alexandra; Stock, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1417 - m1418
• a: 10.553 ± 0.002 Å
• b: 7.1312 ± 0.0014 Å
• c: 15.791 ± 0.003 Å
• α: 90°
• β: 105.07 ± 0.03°
• γ: 90°
• Cell volume: 1147.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes