Information card for entry 1515037

Structure parameters

• Formula: C152 H172 Cl14 Fe2 N10 O34
• Calculated formula: C152 H172 Cl14 Fe2 N10 O34
• Title of publication: Solution and surface-confined chloride anion templated redox-active ferrocene catenanes
• Authors of publication: Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1080
• a: 15.7014 ± 0.0011 Å
• b: 18.6485 ± 0.0008 Å
• c: 28.3126 ± 0.0016 Å
• α: 98.202 ± 0.004°
• β: 99.703 ± 0.005°
• γ: 102.308 ± 0.005°
• Cell volume: 7845.3 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections: 0.1713
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9936
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No