Information card for entry 7719348

Structure parameters

• Formula: C22 H22 N22 Ni2 O2
• Calculated formula: C22 H22 N22 Ni2 O2
• Title of publication: Large magnetic anisotropy of Ni(II) polynuclear complexes confirmed by very unusual HFEPR spectra: relaxation behaviour of six-coordinate Ni(II) dimers.
• Authors of publication: Sawka, Jacek; Bieńko, Alina; Świtlicka, Anna; Penkala, Mateusz; Bieńko, Dariusz; Rajnák, Cyril; Titiš, Ján; Boča, Roman; Ozarowski, Andrew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13421 - 13425
• a: 10.5621 ± 0.0005 Å
• b: 10.7305 ± 0.0004 Å
• c: 13.636 ± 0.0007 Å
• α: 90°
• β: 106.913 ± 0.005°
• γ: 90°
• Cell volume: 1478.61 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No