Information card for entry 7054131

Structure parameters

• Formula: C123.5 H142 Cu2 F12 N8 O17 P2 Si2
• Calculated formula: C123.5 H142 Cu2 F12 N8 O16.5 P2 Si2
• Title of publication: [3]Rotaxanes and [3]pseudorotaxanes with a rigid two-bidentate chelate axle threaded through two coordinating rings
• Authors of publication: Collin, Jean-Paul; Sauvage, Jean-Pierre; Trolez, Yann; Rissanen, Kari
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2148
• a: 13.3567 ± 0.0007 Å
• b: 20.1482 ± 0.0007 Å
• c: 26.9262 ± 0.001 Å
• α: 69.49 ± 0.002°
• β: 88.66 ± 0.002°
• γ: 74.205 ± 0.003°
• Cell volume: 6509.7 ± 0.5 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.218
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.3318
• Weighted residual factors for all reflections included in the refinement: 0.379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No