Information card for entry 1515136

Structure parameters

• Formula: C76 H56 Cl4 N16 Pd2 Pt2
• Calculated formula: C76 H56 Cl4 N16 Pd2 Pt2
• SMILES: [Pt](Cl)(Cl)([NH3])[NH3].[Pt](Cl)(Cl)([NH3])[NH3].[Pd]123[n]4cccc(c4)C#Cc4nc(ccc4)C#Cc4ccc[n]([Pd]([n]5cccc(c5)C#Cc5nc(ccc5)C#Cc5ccc[n]2c5)([n]2cccc(C#Cc5nc(C#Cc6ccc[n]1c6)ccc5)c2)[n]1cccc(c1)C#Cc1nc(ccc1)C#Cc1ccc[n]3c1)c4
• Title of publication: Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery
• Authors of publication: Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 778
• a: 11.9663 ± 0.0019 Å
• b: 12.345 ± 0.0019 Å
• c: 17.495 ± 0.003 Å
• α: 76.455 ± 0.009°
• β: 83.846 ± 0.01°
• γ: 85.135 ± 0.01°
• Cell volume: 2493.3 ± 0.7 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No