Information card for entry 7039035

Structure parameters

• Formula: C132 H100 B4 F16 N20 O8 Pd2
• Calculated formula: C132 H100 B4 F16 N20 O8 Pd2
• Title of publication: Supramolecular exo-functionalized palladium cages: fluorescent properties and biological activity.
• Authors of publication: Schmidt, Andrea; Hollering, Manuela; Drees, Markus; Casini, Angela; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8556 - 8565
• a: 15.1234 ± 0.001 Å
• b: 16.0574 ± 0.001 Å
• c: 19.3244 ± 0.0012 Å
• α: 96.26 ± 0.003°
• β: 106.117 ± 0.003°
• γ: 111.79 ± 0.003°
• Cell volume: 4066.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0681
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No