Information card for entry 7107368

Structure parameters

• Formula: C116 H192 N12 O25 Zn3
• Calculated formula: C116 H138 N12 O25 Zn3
• Title of publication: Controlling the macrocycle size by the stoichiometry of the applied template ion
• Authors of publication: Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2237
• a: 19.17 ± 0.03 Å
• b: 24.42 ± 0.02 Å
• c: 18.37 ± 0.03 Å
• α: 90°
• β: 113.31 ± 0.17°
• γ: 90°
• Cell volume: 7898 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.3311
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.313
• Weighted residual factors for all reflections included in the refinement: 0.4127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No