Information card for entry 2217478

Structure parameters

• Chemical name: Tetra-μ-benzoato-bis[(quinoxaline)copper(II)]
• Formula: C44 H32 Cu2 N4 O8
• Calculated formula: C44 H32 Cu2 N4 O8
• SMILES: c1cnc2ccccc2[n]1[Cu]1234[O]=C(c5ccccc5)O[Cu]3([n]3ccnc5ccccc35)([O]=C(c3ccccc3)O4)(OC(=[O]2)c2ccccc2)[O]=C(O1)c1ccccc1
• Title of publication: Tetra-μ-benzoato-bis[(quinoxaline)copper(II)]
• Authors of publication: Lee, Eun Yong; Park, Byeong Kwon; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m286 - m286
• a: 10.1423 ± 0.0016 Å
• b: 10.34 ± 0.0017 Å
• c: 10.5148 ± 0.0017 Å
• α: 65.459 ± 0.002°
• β: 73.063 ± 0.003°
• γ: 82.142 ± 0.003°
• Cell volume: 959.4 ± 0.3 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: 0.0396
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes