Information card for entry 7056230

Structure parameters

• Formula: C70.7 H103.39 Cu F24 N12 Ni O10.23 P4
• Calculated formula: C70.699 H103.398 Cu F24 N12 Ni O10.233 P4
• Title of publication: Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units
• Authors of publication: Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 6004 - 6013
• a: 13.7274 ± 0.0003 Å
• b: 16.1814 ± 0.0004 Å
• c: 21.4063 ± 0.0004 Å
• α: 74.0155 ± 0.0019°
• β: 88.0178 ± 0.0017°
• γ: 69.385 ± 0.002°
• Cell volume: 4268.12 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No