Information card for entry 7038976

Structure parameters

• Formula: C80 H52 N16 O4 Pd2
• Calculated formula: C80 H52 N16 O4 Pd2
• Title of publication: Enhanced kinetic stability of [Pd2L4](4+) cages through ligand substitution.
• Authors of publication: Preston, Dan; McNeill, Samantha M.; Lewis, James E. M.; Giles, Gregory I.; Crowley, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8050 - 8060
• a: 11.3213 ± 0.0011 Å
• b: 11.3213 ± 0.0011 Å
• c: 34.953 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4480 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.2259
• Residual factor for significantly intense reflections: 0.1445
• Weighted residual factors for significantly intense reflections: 0.4099
• Weighted residual factors for all reflections included in the refinement: 0.4487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No