Information card for entry 7056231

Structure parameters

• Formula: C65.36 H96.18 F24 N12 Ni2 O10.18 P4
• Calculated formula: C65.365 H96.178 F24 N12 Ni2 O10.179 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: 15.85747 ± 0.00018 Å
• b: 16.3923 ± 0.0002 Å
• c: 17.6221 ± 0.0002 Å
• α: 82.1184 ± 0.0011°
• β: 63.7171 ± 0.0012°
• γ: 88.1675 ± 0.001°
• Cell volume: 4066.21 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.0895
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No