Information card for entry 7105397

Structure parameters

• Formula: C116 H144 Fe8 Na2 Ni3 O9 S16 Sn8
• Calculated formula: C116 H144 Fe8 Na2 Ni3 O9 S16 Sn8
• Title of publication: Synthesis and reactivity of ferrocenyl functionalized Sn/S cages
• Authors of publication: Pöhlker, Christopher; Schellenberg, Inga; Pöttgen, Rainer; Dehnen, Stefanie
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2605
• a: 11.989 ± 0.003 Å
• b: 15.435 ± 0.003 Å
• c: 20.444 ± 0.004 Å
• α: 72.39 ± 0.03°
• β: 79.23 ± 0.03°
• γ: 77.2 ± 0.03°
• Cell volume: 3486.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No