Information card for entry 1520710

Structure parameters

• Formula: C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4
• Calculated formula: C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4
• 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: 24.6339 ± 0.0015 Å
• b: 26.2771 ± 0.0016 Å
• c: 38.566 ± 0.002 Å
• α: 71.189 ± 0.003°
• β: 77.8 ± 0.002°
• γ: 87.75 ± 0.002°
• Cell volume: 23086 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2743
• Residual factor for significantly intense reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.3434
• Weighted residual factors for all reflections included in the refinement: 0.4375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No