Information card for entry 4123312

Structure parameters

• Formula: C276 H228 B6 Cl2 F24 N24 O9 Pd4
• Calculated formula: C276 H228 B6 Cl2 F24 N24 O9 Pd4
• SMILES: [Pd]123[n]4cc(C#Cc5cc6c(N(CCCCCC)c7c(C6=O)cc(cc7)C#Cc6c[n]([Pd]([n]7cccc(C#Cc8ccc9N(CCCCCC)c%10ccc(cc%10C(=O)c9c8)C#Cc8c[n]1ccc8)c7)([n]1cccc(C#Cc7ccc8N(CCCCCC)c9ccc(cc9C(=O)c8c7)C#Cc7c[n]2ccc7)c1)[n]1cccc(C#Cc2ccc7N(CCCCCC)c8ccc(cc8C(=O)c7c2)C#Cc2c[n]3ccc2)c1)ccc6)cc5)ccc4.[Cl-].O.c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.
• Authors of publication: Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1060 - 1063
• a: 19.94 ± 0.004 Å
• b: 44.376 ± 0.009 Å
• c: 28.779 ± 0.006 Å
• α: 90°
• β: 108.92 ± 0.03°
• γ: 90°
• Cell volume: 24089 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1457
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No