Information card for entry 7227314

Structure parameters

• Formula: C47 H43 Cl F12 N10 O P2 Ru2
• Calculated formula: C47 H43 Cl F12 N10 O P2 Ru2
• SMILES: c1cccc[n]1[Ru]([N]#C[Ru]123([n]4c(c5cccc[n]35)cccc4)[n]3c(c4cccc(c5cccc[n]25)[n]14)cccc3)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CO
• Title of publication: Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.
• Authors of publication: Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 2882 - 2893
• a: 13.779 ± 0.003 Å
• b: 18.119 ± 0.004 Å
• c: 22.414 ± 0.004 Å
• α: 90°
• β: 92.599 ± 0.015°
• γ: 90°
• Cell volume: 5590 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.2005
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.3624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No