Information card for entry 4306519

Structure parameters

• Formula: C47 H38 B F4 N3 O2 P Ru S4
• Calculated formula: C47 H38 B F4 N3 O2 P Ru S4
• Title of publication: First Paramagnetic 4d Transition-Metal Complex with a Redox-Active Tetrathiafulvalene Derivative, [Ru(salen)(PPh3)(TTF-CH=CH-Py)]BF4 [salen2-=N,N'-Ethan-1,2-diylbis(salicylidenamine), PPh3= Triphenylphosphine, TTF-CH=CH-Py = 4-(2-Tetrathiafulvalenylethenyl)pyridine]
• Authors of publication: Fabrice Pointillart; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9730 - 9732
• a: 9.2822 ± 0.0007 Å
• b: 14.7823 ± 0.0006 Å
• c: 19.4265 ± 0.0015 Å
• α: 97.028 ± 0.004°
• β: 100.201 ± 0.003°
• γ: 105.04 ± 0.004°
• Cell volume: 2493.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No