Information card for entry 2228403

Structure parameters

• Chemical name: Poly[diaquabis[μ-1-hydroxy-2-(imidazol-3-ium-1-yl)ethane-1,1- diyldiphosphonato]tricopper(II)]
• Formula: C10 H18 Cu3 N4 O16 P4
• Calculated formula: C10 H18 Cu3 N4 O16 P4
• Title of publication: Poly[diaquabis[μ-1-hydroxy-2-(imidazol-3-ium-1-yl)ethane-1,1-diyldiphosphonato]tricopper(II)]
• Authors of publication: Li, Yaping; Sun, Dajun; Zang, Hu; Han, Liying; Su, Guanfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1576
• a: 7.4167 ± 0.0009 Å
• b: 8.1502 ± 0.001 Å
• c: 9.5228 ± 0.0012 Å
• α: 104.747 ± 0.002°
• β: 107.658 ± 0.002°
• γ: 101.484 ± 0.002°
• Cell volume: 506.03 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes