Information card for entry 2227887

Structure parameters

• Chemical name: <i>catena</i>-poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]- μ~3~-[<i>m</i>-phenylenediphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']]
• Formula: C18 H14 Cu N2 O6 P2
• Calculated formula: C18 H14 Cu N2 O6 P2
• SMILES: [Cu]123(OP(=O)(O)c4cc(P(=O)(O)O[Cu]5(OP(=O)(O)c6cc(P(=[O][Cu]78(OP(=[O]3)(O)c3cc(P(=O)(O[Cu]9([n]%10cccc%11c%10c%10[n]9cccc%10cc%11)OP(=O)(O)c9cc(P(=O)(O7)O)ccc9)O)ccc3)[n]3cccc7c3c3[n]8cccc3cc7)(O)O2)ccc6)[n]2cccc3c2c2[n]5cccc2cc3)ccc4)[n]2cccc3c2c2[n]1cccc2cc3
• Title of publication: A one-dimensional copper(II) phenylenediphosphonate: <i>catena</i>-poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-[<i>m</i>-phenylenediphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']]
• Authors of publication: DeBurgomaster, Paul; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1304 - m1305
• a: 8.6142 ± 0.001 Å
• b: 9.0554 ± 0.001 Å
• c: 12.1094 ± 0.0013 Å
• α: 99.688 ± 0.002°
• β: 106.542 ± 0.002°
• γ: 98.184 ± 0.002°
• Cell volume: 874.3 ± 0.17 ų
• Cell temperature: 98 ± 0.2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes