Information card for entry 1542261

Structure parameters

• Formula: C88.49 H103.18 Cl20.98 N12 O5.1 Pd6
• Calculated formula: C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6
• Title of publication: Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
• Authors of publication: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2217
• a: 31.4043 ± 0.0006 Å
• b: 31.4043 ± 0.0006 Å
• c: 31.4043 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30971.9 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No