Information card for entry 7107369

Structure parameters

• Formula: C115.5 H172 Cl21 N12 O20 Zn3
• Calculated formula: C115.5 H136 Cl21 N12 O20 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: 29.114 ± 0.011 Å
• b: 18.422 ± 0.005 Å
• c: 17.181 ± 0.006 Å
• α: 90°
• β: 125.19 ± 0.05°
• γ: 90°
• Cell volume: 7531 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2545
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.654
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No