Information card for entry 7202734

Structure parameters

• Formula: C93 H97 Cu3 N9 O26
• Calculated formula: C93 H87 Cu3 N9 O21
• SMILES: [C@@H]1(c2ccc(cc2)c2ccc3[n](c2)[Cu]2([n]4c(ccc(c5ccc([C@@H]([C@H](c6ccc(cc6)c6ccc7[n](c6)[Cu]6([n]8c(ccc(c9ccc([C@@H]([C@H](c%10ccc(cc%10)c%10ccc%11[n]([Cu]%12([n]%13c(ccc(c%14ccc([C@@H]1OC)cc%14)c%13)C(=O)O%12)(OC%11=O)[O]=CN(C)C)c%10)OC)OC)cc9)c8)C(=O)O6)(OC7=O)[O]=CN(C)C)OC)OC)cc5)c4)C(=O)O2)(OC3=O)[O]=CN(C)C)OC
• Title of publication: A chiral trianglular coordination complex derived from (S,S)-1,2-dimethoxy-di-4-(2?-carboxyl-5?-pyridyl)phenyl ethane and Cu(ii) by self-assembly
• Authors of publication: Jeong, Kyung Seok; Kim, Sun Young; Oh, Youjin; Min, Dong Won; Kim, Jaheon; Jeong, Nakcheol
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 273
• a: 25.284 ± 0.0003 Å
• b: 25.284 ± 0.0003 Å
• c: 12.1961 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6752.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No