Information card for entry 2207142

Structure parameters

• Chemical name: Diaquatetrakis(μ-2-phenylquinoline-4-carboxylato- κ^2^O:O')dicopper(II)(Cu—Cu)
• Formula: C64 H44 Cu2 N4 O10
• Calculated formula: C64 H44 Cu2 N4 O10
• SMILES: C1(c2cc(nc3c2cccc3)c2ccccc2)=[O][Cu]234([O]=C(O[Cu]4([O]=C(c4c5ccccc5nc(c5ccccc5)c4)O2)(O1)([O]=C(O3)c1c2ccccc2nc(c2ccccc2)c1)[OH2])c1c2ccccc2nc(c2ccccc2)c1)[OH2]
• Title of publication: Diaquatetrakis(μ-2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)
• Authors of publication: Che, Guang-Bo; Liu, Chun-Bo; Cui, Yun-Cheng; Li, Chuan-Bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2449 - m2451
• a: 8.28 ± 0.0017 Å
• b: 10.668 ± 0.002 Å
• c: 15.501 ± 0.003 Å
• α: 86.62 ± 0.03°
• β: 85.99 ± 0.03°
• γ: 70.92 ± 0.03°
• Cell volume: 1289.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes