Information card for entry 7007938

Structure parameters

• Formula: C36 H30 N4 O3
• Calculated formula: C36 H30 N4 O3
• Title of publication: A chiral [2]catenane self-assembled from meso-macrocycles of palladium(II).
• Authors of publication: Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 268 - 272
• a: 9.966 ± 0.002 Å
• b: 30.966 ± 0.006 Å
• c: 10.167 ± 0.002 Å
• α: 90°
• β: 113.65 ± 0.03°
• γ: 90°
• Cell volume: 2874.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No