Information card for entry 7701142

Structure parameters

• Formula: C42 H32 F12 Fe N6 P2 Ru
• Calculated formula: C42 H32 F12 Fe N6 P2 Ru
• Title of publication: Long-lived MLCT states for Ru(ii) complexes of ferrocene-appended 2,2'-bipyridines.
• Authors of publication: Barnsley, Jonathan E.; Findlay, James A.; Shillito, Georgina E.; Pelet, William S.; Scottwell, Synøve Ø; McIntyre, Sam M.; Tay, Elliot J.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15713 - 15722
• a: 12.6007 ± 0.0003 Å
• b: 11.8006 ± 0.0003 Å
• c: 27.4502 ± 0.0008 Å
• α: 90°
• β: 103.184 ± 0.003°
• γ: 90°
• Cell volume: 3974.15 ± 0.19 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 K
• Number of distinct elements: 7
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No