Information card for entry 2206465

Structure parameters

• Chemical name: Tetra-μ-phenoxyacetato-bis[(acetonitrile)copper(II)](Cu—Cu)
• Formula: C36 H34 Cu2 N2 O12
• Calculated formula: C36 H34 Cu2 N2 O12
• SMILES: c1(ccccc1)OCC1=[O][Cu]234([N]#CC)[O]=C(O[Cu]4(O1)([N]#CC)([O]=C(COc1ccccc1)O2)[O]=C(O3)COc1ccccc1)COc1ccccc1
• Title of publication: Tetra-μ-phenoxyacetato-bis[(acetonitrile)copper(II)](<i>Cu</i>—<i>Cu</i>)
• Authors of publication: Jiang, Guo-Qing; Li, Yi-Zhi; Wang, Su-Na; Li, Fei-Fei; Bai, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1517 - m1519
• a: 19.064 ± 0.004 Å
• b: 7.6978 ± 0.0016 Å
• c: 24.864 ± 0.005 Å
• α: 90°
• β: 98.261 ± 0.004°
• γ: 90°
• Cell volume: 3611 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes