Information card for entry 7705913

Structure parameters

• Formula: C44 H52 F18 N10 Ni2 O16
• Calculated formula: C44 H52 F18 N10 Ni2 O16
• Title of publication: A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.
• Authors of publication: Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16916 - 16927
• a: 18.0444 ± 0.0015 Å
• b: 13.4321 ± 0.0011 Å
• c: 25.498 ± 0.002 Å
• α: 90°
• β: 100.226 ± 0.002°
• γ: 90°
• Cell volume: 6081.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No