Information card for entry 2211535

Structure parameters

• Chemical name: Poly[[[(pyrazino[2,3-f][1,10]phenanthroline-κ^2^N,N')cadmium(II)]- μ~3~-pyridine-2,5-dicarboxylato-κ^3^O,O':N,O:O'':O''] monohydrate]
• Formula: C21 H13 Cd N5 O5
• Calculated formula: C21 H13 Cd N5 O5
• Title of publication: Poly[[[(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-pyridine-2,5-dicarboxylato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>,<i>O</i>:<i>O</i>'':<i>O</i>''] monohydrate]
• Authors of publication: Guang-Bo Che; Jian-Wang; Jun Sun; Lu Lu; Zhi-Xin Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3257 - m3259
• a: 10.754 ± 0.002 Å
• b: 10.631 ± 0.002 Å
• c: 17.127 ± 0.003 Å
• α: 90°
• β: 92.64 ± 0.03°
• γ: 90°
• Cell volume: 1956 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes