Information card for entry 4322361

Structure parameters

• Formula: C78 H110 F12 N6 O P2 Ru3 S6
• Calculated formula: C78 H108 F12 N6 O P2 Ru3 S6
• Title of publication: Redox Chemistry of (1,4,7-Tris(4-tert-butyl-2-mercaptobenzyl)-1,4,7- triazacyclononane)ruthenium(III), [RuIIIL]: Synthesis and Characterization of [RuII2(L-L)](BPh4)4.10CH3CN and [LRuRuRuL](PF6)2.H2O
• Authors of publication: Belén Albela; Eberhard Bothe; Oliver Brosch; Katsura Mochizuki; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5131 - 5138
• a: 18.755 ± 0.003 Å
• b: 22.278 ± 0.004 Å
• c: 21.92 ± 0.004 Å
• α: 90°
• β: 91.69 ± 0.03°
• γ: 90°
• Cell volume: 9155 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections: 0.2612
• Weighted residual factors for significantly intense reflections: 0.1999
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No