Information card for entry 1520712

Structure parameters

• Formula: C80 H52 N24 O20 S4 Zn4
• Calculated formula: C80 H52 N24 O20 S4 Zn4
• Title of publication: Mixed valence mono- and hetero-metallic grid catenanes
• Authors of publication: Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5712
• a: 16.4641 ± 0.0005 Å
• b: 16.4641 ± 0.0005 Å
• c: 53.397 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14474.1 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No