Information card for entry 2206512

Structure parameters

• Chemical name: catena-Poly[[[tripyridinecopper(II)]-μ-m-phenylenedioxydiacetato] monohydrate]
• Formula: C25 H25 Cu N3 O7
• Calculated formula: C25 H25 Cu N3 O7
• Title of publication: <i>catena</i>-Poly[[[tripyridinecopper(II)]-μ-<i>m</i>-phenylenedioxydiacetato] monohydrate]
• Authors of publication: Hong, Xian-Lan; Li, Yi-Zhi; Jiang, Guo-Qing; Bai, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1556 - m1558
• a: 20.843 ± 0.003 Å
• b: 11.964 ± 0.001 Å
• c: 9.983 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2489.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes