Information card for entry 7236205

Structure parameters

• Formula: C53 H67 F6 Fe N4 O10 P
• Calculated formula: C53 H67 F6 Fe N4 O10 P
• Title of publication: Ferrocene-containing [1]-, [2]-, [3]- and [4]rotaxanes synthesized from a common precursor
• Authors of publication: Yu, Gilbert; Suzaki, Yuji; Osakada, Kohtaro
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 47
• Pages of publication: 41369
• a: 10.0198 ± 0.0016 Å
• b: 14.171 ± 0.003 Å
• c: 21.521 ± 0.004 Å
• α: 70.946 ± 0.006°
• β: 78.528 ± 0.008°
• γ: 70.905 ± 0.007°
• Cell volume: 2714.9 ± 0.9 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No