Information card for entry 7015961

Structure parameters

• Formula: C130 H118 Cl2 F18 N20 O34 Ru2 S6
• Calculated formula: C126 H106 Cl2 F18 N16 O26 Ru2 S6
• Title of publication: Complexes of a [2]rotaxane ligand with terminal terpyridine groups.
• Authors of publication: Mercer, Darren J.; Loeb, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6385 - 6387
• a: 14.056 ± 0.003 Å
• b: 14.073 ± 0.003 Å
• c: 22.616 ± 0.005 Å
• α: 78.454 ± 0.004°
• β: 83.369 ± 0.004°
• γ: 62.894 ± 0.003°
• Cell volume: 3900.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.2567
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.283
• Weighted residual factors for all reflections included in the refinement: 0.335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No