Information card for entry 7061030

Structure parameters

• Formula: C36 H27 Cl Cu F12 N2 O6
• Calculated formula: C36 H27 Cl Cu F12 N2 O6
• Title of publication: Field supported slow magnetic relaxation in a quasi-one-dimensional copper(ii) complex with a pentaheterocyclic triphenodioxazine
• Authors of publication: Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Akimov, A. V.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 21912 - 21918
• a: 9.4631 ± 0.0002 Å
• b: 13.7164 ± 0.0003 Å
• c: 15.5325 ± 0.0003 Å
• α: 91.745 ± 0.002°
• β: 97.906 ± 0.002°
• γ: 105.7 ± 0.002°
• Cell volume: 1917.6 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No