Information card for entry 7719349

Structure parameters

• Formula: C15 H11 N11 Ni O
• Calculated formula: C15 H11 N11 Ni O
• 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: 14.0526 ± 0.0005 Å
• b: 8.7823 ± 0.0004 Å
• c: 28.8665 ± 0.0013 Å
• α: 90°
• β: 101.668 ± 0.004°
• γ: 90°
• Cell volume: 3488.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No