Information card for entry 7026817

Structure parameters

• Formula: C286 H229 F48 N27 O18 P8 Ru4
• Calculated formula: C286 H225 F48 N27 O18 P8 Ru4
• Title of publication: Towards catenanes using π-stacking interactions and their influence on the spin-state of a bis(2,2':6',2"terpyridine)iron(II) domain.
• Authors of publication: Brauchli, Sven Y.; Constable, Edwin C.; Harris, Kate; Häussinger, Daniel; Housecroft, Catherine E.; Rösel, Pirmin J; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10739 - 10748
• a: 17.173 ± 0.003 Å
• b: 19.832 ± 0.004 Å
• c: 19.409 ± 0.004 Å
• α: 90°
• β: 91.86 ± 0.03°
• γ: 90°
• Cell volume: 6607 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No