Information card for entry 1517047

Structure parameters

• Formula: C68 H58 Cu3 N4 O12
• Calculated formula: C68 H58 Cu3 N4 O12
• SMILES: [Cu]1234([O]=C(O[Cu]2([O]=C(O1)c1ccccc1)(OC(=[O]3)c1ccccc1)([O]=C(O4)c1ccccc1)[n]1ccc(cc1)CCCc1ccncc1)c1ccccc1)[n]1ccc(cc1)CCCc1cc[n]([Cu](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)[n]2ccc(CCCc3cc[n]([Cu]4567[Cu]([O]=C(O4)c4ccccc4)([O]=C(O5)c4ccccc4)([n]4ccc(cc4)CCCc4cc[n]([Cu](OC(=O)c5ccccc5)OC(=O)c5ccccc5)cc4)(OC(=[O]6)c4ccccc4)OC(=[O]7)c4ccccc4)cc3)cc2)cc1
• 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: 9.8178 ± 0.001 Å
• b: 10.774 ± 0.0011 Å
• c: 14.9306 ± 0.0015 Å
• α: 79.685 ± 0.002°
• β: 81.615 ± 0.002°
• γ: 78.697 ± 0.002°
• Cell volume: 1513.6 ± 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: 0.1016
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No