Information card for entry 1551365

Structure parameters

• Formula: C390 H330 Cl20 Co10 N60 O76
• Calculated formula: C390 H330 Cl16 Co10 N60 O60
• SMILES: Cc1ccc(cc1)[N]1=Cc2ccc3c[n]2[Co]2451[N](c1ccc(C)cc1)=Cc1ccc(c[n]51)c1c[n]5c(cc1)C=[N](c1ccc(C)cc1)[Co]1675[N](c5ccc(C)cc5)=Cc5ccc(c[n]15)c1c[n]5c(cc1)C=[N](c1ccc(cc1)C)[Co]1895[N](c5ccc(C)cc5)=Cc5ccc(c[n]15)c1c[n]5[Co]%10%11%12([n]%13cc(c%14c[n]%15[Co]%16%17%18([n]%19cc(c%20c[n]%21[Co]%22%23([n]%24cc(c%25c[n]%26c(C=[N](c%27ccc(C)cc%27)[Co]%27%28%26([N](c%26ccc(C)cc%26)=Cc%26[n]%27cc(cc%26)c%26c[n]9c(C=[N]8c8ccc(C)cc8)cc%26)[N](c8ccc(C)cc8)=Cc8[n]%28cc(c9c[n]4c(C=[N]2c2ccc(C)cc2)cc9)cc8)cc%25)ccc%24C=[N]%22c2ccc(C)cc2)([N](c2ccc(C)cc2)=Cc2ccc(c[n]%232)c2c[n]4c(cc2)C=[N](c2ccc(cc2)C)[Co]284([N](c4ccc(C)cc4)=Cc4ccc(c[n]24)c2c[n]4[Co]9%22([n]%23cc(c%24c[n]%25[Co]%26%27([n]%28cc(c%29c[n]7c(C=[N]6c6ccc(C)cc6)cc%29)ccc%28C=[N]%26c6ccc(cc6)C)([N](c6ccc(C)cc6)=Cc6[n]%27cc(cc6)c6c[n]%11c(C=[N]%12c7ccc(C)cc7)cc6)[N](c6ccc(C)cc6)=Cc%25cc%24)ccc%23C=[N]9c6ccc(cc6)C)([N](c6ccc(C)cc6)=Cc4cc2)[n]2c(C=[N]%22c4ccc(C)cc4)ccc(c4c[n]%18c(C=[N]%17c6ccc(C)cc6)cc4)c2)[N](c2ccc(C)cc2)=Cc2[n]8cc3cc2)[N](c2ccc(C)cc2)=Cc%21cc%20)ccc%19C=[N]%16c2ccc(cc2)C)[N](c2ccc(C)cc2)=Cc%15cc%14)ccc%13C=[N]%10c2ccc(cc2)C)[N](c2ccc(C)cc2)=Cc5cc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cl-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism
• Authors of publication: Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke
• Journal of publication: Nature Chemistry
• Year of publication: 2012
• Journal volume: 4
• Pages of publication: 751 - 756
• a: 21.469 ± 0.004 Å
• b: 31.178 ± 0.006 Å
• c: 34.437 ± 0.007 Å
• α: 90°
• β: 96.87 ± 0.03°
• γ: 90°
• Cell volume: 22885 ± 8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1992
• Residual factor for significantly intense reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.3787
• Weighted residual factors for all reflections included in the refinement: 0.413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.424
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No