Information card for entry 7020648

Structure parameters

• Formula: C50 H68 F6 Fe N O10 P
• Calculated formula: C50.0052 H57 F6 Fe N O10 P
• Title of publication: Introduction of ferrocene-containing [2]rotaxanes onto siloxane, silsesquioxane and polysiloxanes via click chemistry.
• Authors of publication: Yu, Gilbert; Suzaki, Yuji; Abe, Tomoko; Osakada, Kohtaro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1476 - 1482
• a: 10.108 ± 0.004 Å
• b: 24.054 ± 0.009 Å
• c: 21.012 ± 0.008 Å
• α: 90°
• β: 92.146 ± 0.007°
• γ: 90°
• Cell volume: 5105 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No