Information card for entry 7062848

Structure parameters

• Formula: C36 H28 Cu F12 N2 O6
• Calculated formula: C36 H28 Cu F12 N2 O6
• Title of publication: Field-assisted slow relaxation of magnetization in Cu(ii) complexes with pentaheterocyclic triphenodioxazine ligands: the quasi-one-dimensional versus the binuclear case
• Authors of publication: Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Knyazev, P. A.; Efimov, N. N.; 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: 2023
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 21353 - 21360
• a: 9.527 ± 0.0002 Å
• b: 13.6628 ± 0.0003 Å
• c: 15.3279 ± 0.0002 Å
• α: 91.565 ± 0.002°
• β: 97.827 ± 0.002°
• γ: 106.988 ± 0.002°
• Cell volume: 1885.58 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No