Information card for entry 4125723

Structure parameters

• Formula: C228 H255 N24 O18 Zn6
• Calculated formula: C228 H255 N24 O18 Zn6
• SMILES: c1cc2cc[n]1[Zn]134[N](=Cc5cc(c6cc[n](cc6)[Zn]678[N](=Cc9cc(c%10cc[n](cc%10)[Zn]%10%11%12[N](=Cc%13cc(c%14cc[n](cc%14)[Zn]%14%15%16[N](=Cc%17cc(c%18cc[n](cc%18)[Zn]%18%19%20[N](=Cc%21cc(c%22cc[n](cc%22)[Zn]%22%23%24[N](=Cc%25cc2cc(c%25O%23)C(C)(C)C)[C@@H]2CCCC[C@H]2N%22Cc2c(O%24)c(cc(c2)c2ccncc2)C(C)(C)C)cc(c%21O%19)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%18=Cc2c(O%20)c(cc(c2)c2ccncc2)C(C)(C)C)cc(c%17O%16)C(C)(C)C)[C@@H]2CCCC[C@H]2N%14Cc2c(O%15)c(cc(c2)c2ccncc2)C(C)(C)C)cc(c%13O%11)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]%10=Cc2c(O%12)c(cc(c2)c2ccncc2)C(C)(C)C)cc(c9O8)C(C)(C)C)[C@@H]2CCCC[C@H]2N6Cc2c(O7)c(cc(c2)c2ccncc2)C(C)(C)C)cc(c5O3)C(C)(C)C)[C@@H]2CCCC[C@H]2[N]1=Cc1c(O4)c(cc(c1)c1ccncc1)C(C)(C)C.O.O.O.O.O.O
• Title of publication: Chiral NH-Controlled Supramolecular Metallacycles.
• Authors of publication: Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 4
• Pages of publication: 1554 - 1564
• a: 43.9623 ± 0.0012 Å
• b: 43.9623 ± 0.0012 Å
• c: 11.3572 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19009.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0757
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No