Information card for entry 2204888

Structure parameters

• Chemical name: catena-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^N)copper(II)]- μ-terephthalato-κ^2^O:O'] terephthalic acid]
• Formula: C37 H25 Cu N3 O8
• Calculated formula: C37 H25 Cu N3 O8
• SMILES: [Cu]12(OC(=O)c3ccc(cc3)C(=O)O[Cu]34(OC(=O)c5ccc(cc5)C(=O)[O-])[n]5ccccc5c5[n]4c(cc(c5)c4ccccc4)c4[n]3cccc4)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1.OC(=O)c1ccc(cc1)C(=O)O.OC(=O)c1ccc(cc1)C(=O)O
• Title of publication: <i>catena</i>-Poly[[[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)copper(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] terephthalic acid]
• Authors of publication: Tu, Qi-Dong; Yin, Ye-Gao; Li, Dan; Huang, Xiao-Chun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m103 - m105
• a: 8.0952 ± 0.0005 Å
• b: 13.957 ± 0.0008 Å
• c: 14.1416 ± 0.0008 Å
• α: 93.925 ± 0.001°
• β: 91.488 ± 0.001°
• γ: 103.777 ± 0.001°
• Cell volume: 1546.7 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes