Information card for entry 2228644

Structure parameters

• Chemical name: Bis(μ-2-phenylquinoline-4-carboxylato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4- carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
• Formula: C84 H56 Cd2 N8 O8
• Calculated formula: C84 H56 Cd2 N8 O8
• SMILES: C1(=[O][Cd]234([n]5ccccc5c5[n]4cccc5)([O]1[Cd]145([n]6ccccc6c6[n]1cccc6)([O]=C(c1cc(nc6c1cccc6)c1ccccc1)[O]34)[O]=C(O5)c1cc(nc3c1cccc3)c1ccccc1)[O]=C(O2)c1cc(nc2c1cccc2)c1ccccc1)c1c2ccccc2nc(c1)c1ccccc1
• Title of publication: Bis(μ-2-phenylquinoline-4-carboxylato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
• Authors of publication: Zha, Mei-Qin; Li, Xing; Bing, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m8
• a: 10 ± 0.002 Å
• b: 13.047 ± 0.003 Å
• c: 13.157 ± 0.003 Å
• α: 91.513 ± 0.003°
• β: 97.13 ± 0.003°
• γ: 95.185 ± 0.003°
• Cell volume: 1695.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes