Information card for entry 7018810

Structure parameters

• Formula: C21 H18 F6 N9 P Ru S
• Calculated formula: C21 H18 F6 N9 P Ru S
• SMILES: [Ru]123([n]4n(C(n5[n]1ccc5)n1[n]2ccc1)ccc4)([n]1c(c2[n]3cccc2)cccc1)N=C=S.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Efficient energy transfer via the cyanide bridge in dinuclear complexes containing Ru(ii) polypyridine moieties.
• Authors of publication: Cadranel, Alejandro; Alborés, Pablo; Yamazaki, Shiori; Kleiman, Valeria D.; Baraldo, Luis M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5343 - 5350
• a: 8.623 ± 0.0002 Å
• b: 10.4796 ± 0.0002 Å
• c: 14.7558 ± 0.0004 Å
• α: 87.312 ± 0.002°
• β: 81.518 ± 0.002°
• γ: 73.325 ± 0.002°
• Cell volume: 1263.36 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No