Information card for entry 1508066

Structure parameters

• Formula: C119.36 H115.1 B3 Cu3 F11.9 N20 O16
• Calculated formula: C119.36 H115.1 B3 Cu3 F11.9 N20 O16
• SMILES: [Cu]123[n]4c5c([N]1=Cc1ccc6ccc7c([n]([Cu]89%10)c(cc7)C=[N]7[Cu]%11([n]%12c(C(=O)Nc%13ccccc%13)cc(OCC(C)C)c%13c%12c7ccc%13)[N](c7c%12[n]%11c(C(=O)Nc%11ccccc%11)cc(OCC(C)C)c%12ccc7)=Cc7[n]8c8c%11[n]9c(ccc%11ccc8cc7)C=[N]2c2c7[n]3c(C(=O)Nc3ccccc3)cc(OCC(C)C)c7ccc2)c6[n]1%10)cccc5c(OCC(C)C)cc4C(=O)Nc1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=CN(C)C.N(C=O)(C)C.[B](F)(F)(F)[F-].CN(C=O)C.CN(C=O)C.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: 16.844 ± 0.001 Å
• b: 17.393 ± 0.001 Å
• c: 20.257 ± 0.001 Å
• α: 84.064 ± 0.004°
• β: 82.693 ± 0.004°
• γ: 87.212 ± 0.004°
• Cell volume: 5851.1 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3109
• Residual factor for significantly intense reflections: 0.1437
• Weighted residual factors for significantly intense reflections: 0.334
• Weighted residual factors for all reflections included in the refinement: 0.4307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No