Information card for entry 2218626

Structure parameters

• Chemical name: Tetra-μ-benzoato-bis[(6-methylquinoline)copper(II)]
• Formula: C48 H38 Cu2 N2 O8
• Calculated formula: C48 H38 Cu2 N2 O8
• SMILES: c1ccc2cc(ccc2[n]1[Cu]1234[O]=C(c5ccccc5)O[Cu]3([n]3cccc5cc(ccc35)C)([O]=C(c3ccccc3)O4)(OC(=[O]2)c2ccccc2)[O]=C(c2ccccc2)O1)C
• Title of publication: Tetra-μ-benzoato-bis[(6-methylquinoline)copper(II)]
• Authors of publication: Yu, Seung Man; Park, Chi-Ho; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m881 - m882
• a: 10.42 ± 0.007 Å
• b: 10.59 ± 0.007 Å
• c: 10.751 ± 0.006 Å
• α: 70.399 ± 0.011°
• β: 64.234 ± 0.01°
• γ: 81.107 ± 0.01°
• Cell volume: 1006.4 ± 1.1 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes