Information card for entry 7032088

Structure parameters

• Formula: C36 H42 Fe S2 Si2
• Calculated formula: C36 H42 Fe S2 Si2
• Title of publication: Avoiding problem reactions at the ferrocenyl-alkyne motif: a convenient synthesis of model, redox-active complexes for molecular electronics.
• Authors of publication: Inkpen, Michael S.; White, Andrew J. P.; Albrecht, Tim; Long, Nicholas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15287 - 15290
• a: 26.4392 ± 0.0007 Å
• b: 9.4335 ± 0.0003 Å
• c: 30.546 ± 0.0009 Å
• α: 90°
• β: 113.57 ± 0.003°
• γ: 90°
• Cell volume: 6983 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No