Information card for entry 7009512

Structure parameters

• Formula: C58.5 H70 F18 N10 O6.5 P3 Ru
• Calculated formula: C59 H64 F18 N10 O6 P3 Ru
• Title of publication: Switching of the inter-component photoinduced electron- and energy-transfer properties of a Ru(II)‒aza-crown‒Re(I) complex; effects of changing temperature, and of incorporation of Ba2+ ion into the macrocyclic spacer between the chromophores
• Authors of publication: Encinas, Susana; Bushell, Karen L.; Couchman, Samantha M.; Jeffery, John C.; Ward, Michael D.; Flamigni, Lucia; Barigelletti, Francesco
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1783
• a: 12.7188 ± 0.0014 Å
• b: 13.5675 ± 0.0013 Å
• c: 22.289 ± 0.003 Å
• α: 77.372 ± 0.01°
• β: 85.719 ± 0.01°
• γ: 62.299 ± 0.007°
• Cell volume: 3321.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1724
• Weighted residual factors for significantly intense reflections: 0.1555
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No