Information card for entry 1577025

Structure parameters

• Formula: C254 H314 Cl8 N32 O12 Zn6
• Calculated formula: C254 H314 Cl8 N32 O12 Zn6
• Title of publication: The bis-salphen Zn(II) unit: a versatile building block for self-assembled heteroleptic coordination cages.
• Authors of publication: Donaggio, Leonardo; Schweimer, Kristian; Heinemann, Frank W.; Hennig, Janosch; Kurz, Hannah
• Journal of publication: Nanoscale
• Year of publication: 2026
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 7002 - 7009
• a: 23.8937 ± 0.0019 Å
• b: 23.9314 ± 0.0018 Å
• c: 36.662 ± 0.003 Å
• α: 86.198 ± 0.004°
• β: 72.187 ± 0.004°
• γ: 60.289 ± 0.003°
• Cell volume: 17242 ± 2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2107
• Residual factor for significantly intense reflections: 0.1644
• Weighted residual factors for significantly intense reflections: 0.4436
• Weighted residual factors for all reflections included in the refinement: 0.4655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.729
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No