Information card for entry 7715943

Structure parameters

• Formula: C62 H48 F12 N8 Ni2 O12 S4
• Calculated formula: C62 H48 F12 N8 Ni2 O12 S4
• Title of publication: Binucleating Jäger-type {(N₂O₂)₂}^4- ligands: magnetic and electronic interactions of Fe(II), Ni(II) and Cu(II) across an in-plane TTF-bridge.
• Authors of publication: Schreck, Constantin; Schönfeld, Sophie; Liebing, Phil; Hörner, Gerald; Weber, Birgit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 9092 - 9105
• a: 17.8926 ± 0.0003 Å
• b: 17.8926 ± 0.0003 Å
• c: 24.3239 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7787.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 7
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No