Information card for entry 7105867

Structure parameters

• Formula: C104 H134 B2 Cd2 Cl4 F8 N14 O36
• Calculated formula: C96 H110 B2 Cd2 Cl4 F8 N6 O20
• Title of publication: Linking [2]rotaxane wheels to create a new type of metal organic rotaxane framework
• Authors of publication: Stephen Loeb; Darren Mercer; Nicholas Vukotic
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 896
• a: 17.006 ± 0.002 Å
• b: 18.712 ± 0.002 Å
• c: 19.944 ± 0.003 Å
• α: 90°
• β: 102.151 ± 0.002°
• γ: 90°
• Cell volume: 6204.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.3443
• Weighted residual factors for all reflections included in the refinement: 0.3638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.537
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No