Information card for entry 1514305

Structure parameters

• Formula: C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5
• Calculated formula: C64 H52.25 Cl Fe2 N13 O2.625 Pd Pt0.5
• Title of publication: ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages
• Authors of publication: Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1833
• a: 14.809 ± 0.003 Å
• b: 21.668 ± 0.004 Å
• c: 24.158 ± 0.005 Å
• α: 105.56 ± 0.03°
• β: 94.22 ± 0.03°
• γ: 90.62 ± 0.03°
• Cell volume: 7444 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2786
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No