Information card for entry 2222580

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(pyrazino[2,3- <i>f</i>][1,10]phenanthroline)cadium(II)]-μ-4,4'-ethylenedibenzoato] <i>N</i>,<i>N</i>-dimethylformamide hemisolvate]
• Formula: C31.5 H23.5 Cd N4.5 O5.5
• Calculated formula: C31.5 H23.5 Cd N4.5 O5.5
• Title of publication: <i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)cadium(II)]-μ-4,4'-ethylenedibenzoato] <i>N</i>,<i>N</i>-dimethylformamide hemisolvate]
• Authors of publication: Li, Ya-Ping; Sun, Da-Jun; Zang, Hu; Han, Li-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m876
• a: 11.4348 ± 0.0005 Å
• b: 11.5167 ± 0.0004 Å
• c: 11.753 ± 0.0005 Å
• α: 84.654 ± 0.003°
• β: 69.154 ± 0.004°
• γ: 84.027 ± 0.003°
• Cell volume: 1435.97 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes