Information card for entry 7002817

Structure parameters

• Formula: C52 H56 B Fe K O8
• Calculated formula: C52 H56 B Fe K O8
• Title of publication: Rotaxanes of a macrocyclic ferrocenophane with dialkylammonium axle components
• Authors of publication: Suzaki, Yuji; Chihara, Eriko; Takagi, Atsuko; Osakada, Kohtaro
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9881 - 9891
• a: 13.846 ± 0.002 Å
• b: 22.065 ± 0.004 Å
• c: 14.893 ± 0.003 Å
• α: 90°
• β: 92.6643 ± 0.0008°
• γ: 90°
• Cell volume: 4545.1 ± 1.4 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No