Information card for entry 7110898

Structure parameters

• Formula: C166.5 H169 F12 N12 O17.5 P2 Ru2
• Calculated formula: C166.5 H169 F12 N12 O17.5 P2 Ru2
• Title of publication: Axially coordinated porphyrins as new rotaxane stoppers
• Authors of publication: Chichak, Kelly; Walsh, M. Catherine; Branda, Neil R.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 847
• a: 11.655 ± 0.002 Å
• b: 30.385 ± 0.005 Å
• c: 24.34 ± 0.004 Å
• α: 90°
• β: 103.745 ± 0.003°
• γ: 90°
• Cell volume: 8373 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.2872
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No