Information card for entry 1508067

Structure parameters

• Formula: C109 H87.66666 B2 Cl1.33333 Cu F8.49333 N16 O17.33333 Zn2
• Calculated formula: C109 H87.6667 B2 Cl1.33333 Cu F8.49333 N16 O17.3333 Zn2
• SMILES: [Zn]123[N](=Cc4[n]([Cu]567)c8c(cc4)ccc4ccc([n]6c48)C=[N]4[Zn]6([n]8c9c(c(OCC(C)C)cc8C(=O)Nc8ccccc8)cccc9[N]6=Cc6[n]5c5c(cc6)ccc6ccc([n]7c56)C=[N]1c1c5[n]2c(cc(OCC(C)C)c5ccc1)C(=O)Nc1ccccc1)[n]1c2c4cccc2c(cc1C(=O)Nc1ccccc1)OCC(C)C)c1cccc2c(cc([n]3c12)C(=O)Nc1ccccc1)OCC(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl.O.O.O.O.O.O.O.O.O
• Title of publication: Cascading transformations within a dynamic self-assembled system.
• Authors of publication: Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R.
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 684 - 687
• a: 23.958 Å
• b: 26.469 Å
• c: 51.79 Å
• α: 90°
• β: 94.12°
• γ: 90°
• Cell volume: 32757.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2843
• Residual factor for significantly intense reflections: 0.1887
• Weighted residual factors for significantly intense reflections: 0.4652
• Weighted residual factors for all reflections included in the refinement: 0.5323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.901
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No