Information card for entry 7021431

Structure parameters

• Formula: C51 H70 Cl6 Fe2 N8 S6 Sn4
• Calculated formula: C51 H70 Cl6 Fe2 N8 S6 Sn4
• Title of publication: Modification of Sn/S cages with bis-functionalized ferrocenyl units.
• Authors of publication: You, Zhiliang; Fenske, Dieter; Dehnen, Stefanie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8179 - 8182
• a: 12.6054 ± 0.0001 Å
• b: 25.6456 ± 0.0002 Å
• c: 41.9115 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13548.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1081
• 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: Yes
• Has Fobs: No