Information card for entry 2229281

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]- μ~3~-4-nitrophthalato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']
• Formula: C18 H11 Cd N3 O6
• Calculated formula: C18 H11 Cd N3 O6
• SMILES: [Cd]1234([O]=C(O[Cd]567([O]=C(O4)c4c(ccc(N(=O)=O)c4)C(=[O][Cd]48(OC(=O)c9c(ccc(N(=O)=O)c9)C(=[O]7)O4)[n]4c(cccc4)c4[n]8cccc4)O5)[n]4c(cccc4)c4[n]6cccc4)c4c(ccc(N(=O)=O)c4)C(=[O][Cd]45(OC(=O)c6c(ccc(N(=O)=O)c6)C(=[O]3)O4)[n]3c(cccc3)c3[n]5cccc3)O1)[n]1c(cccc1)c1[n]2cccc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ~3~-4-nitrophthalato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']
• Authors of publication: Fan, Yang; Xu, Guo-Min; Lu, Hai-Ting; Li, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m199 - m200
• a: 7.3327 ± 0.0004 Å
• b: 17.3786 ± 0.0009 Å
• c: 13.3859 ± 0.0007 Å
• α: 90°
• β: 98.149 ± 0.002°
• γ: 90°
• Cell volume: 1688.57 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes