Information card for entry 7041765

Structure parameters

• Formula: C162 H176 Cl3 Fe7 N18 O64 S6 Si12
• Calculated formula: C162 H176 Cl3 Fe7 N18 O64.0004 S6 Si12
• Title of publication: An iron(iii)-centred ferric wheel Fe⊂{Fe6} with a siloxane-based bis-salicylidene Schiff base.
• Authors of publication: Shova, Sergiu; Cazacu, Maria; Novitchi, Ghenadie; Zoppellaro, Giorgio; Train, Cyrille; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1789 - 1793
• a: 41.2312 ± 0.0007 Å
• b: 41.2312 ± 0.0007 Å
• c: 41.2312 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 70094 ± 2 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 8
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.296
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No