Information card for entry 1542257

Structure parameters

• Formula: C88.82 H106.67 Cl21.63 N12 O6.52 Pd6
• Calculated formula: C88.818 H93.636 Cl21.636 N12 O6.51 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: 31.493 ± 0.003 Å
• b: 31.493 ± 0.003 Å
• c: 31.493 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31235 ± 5 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: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No