Information card for entry 2225008

Structure parameters

• Chemical name: Poly[[(μ-2,2'-bipyrimidine- κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)(μ-sulfato- κ^2^<i>O</i>:<i>O</i>')zinc(II)] monohydrate]
• Formula: C8 H8 N4 O5 S Zn
• Calculated formula: C8 H8 N4 O5 S Zn
• Title of publication: Poly[[(μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')zinc(II)] monohydrate]
• Authors of publication: Oxendine, Aaron; Kelley, Jennifer; Peterson, Jr, LeRoy; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m220
• a: 8.9935 ± 0.0003 Å
• b: 13.9783 ± 0.0005 Å
• c: 9.8459 ± 0.0004 Å
• α: 90°
• β: 117.007 ± 0.001°
• γ: 90°
• Cell volume: 1102.79 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes