Information card for entry 1517050

Structure parameters

• Formula: C34 H28 Cl4 Cu2 N2 O8
• Calculated formula: C34 H28 Cl4 Cu2 N2 O8
• SMILES: [Cu]1234([n]5ccncc5)[O]=C(O[Cu]2([O]=C(O1)c1ccccc1)(OC(=[O]3)c1ccccc1)(OC(=[O]4)c1ccccc1)[n]1cc[n]([Cu]2345[O]=C(O[Cu]3([O]=C(O2)c2ccccc2)(OC(=[O]4)c2ccccc2)OC(=[O]5)c2ccccc2)c2ccccc2)cc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands
• Authors of publication: In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 39 - 45
• a: 9.744 ± 0.0019 Å
• b: 10.039 ± 0.002 Å
• c: 10.74 ± 0.002 Å
• α: 89.94 ± 0.03°
• β: 83.54 ± 0.03°
• γ: 62.3 ± 0.03°
• Cell volume: 922.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No