Information card for entry 7127114

Structure parameters

• Formula: C552 H418 F72 N24 O72 P24 Pd12 S24
• Calculated formula: C544 H418 F48 N24 O48 P24 Pd12 S16
• Title of publication: Kinetic selection of Pd₄L₂ metallocyclic and Pd₆L₃ trigonal prismatic assemblies.
• Authors of publication: O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11799 - 11802
• a: 18.6651 ± 0.0016 Å
• b: 51.156 ± 0.004 Å
• c: 74.909 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 71525 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No