Information card for entry 7120239

Structure parameters

• Formula: C38 H28 N10 Ni O10 S2
• Calculated formula: C38 H28 N10 Ni O10 S2
• Title of publication: Field effect to slow magnetic relaxation in a mononuclear Ni(II) complex
• Authors of publication: Lomjansky, Lominik; Moncol, Jan; Rajnak, Cyril; Titis, Jan; Boca, Roman
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.0112 ± 0.0003 Å
• b: 8.0734 ± 0.0003 Å
• c: 14.9981 ± 0.0005 Å
• α: 82.284 ± 0.003°
• β: 81.302 ± 0.003°
• γ: 76.188 ± 0.003°
• Cell volume: 926.28 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0351
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No