Information card for entry 7023874

Structure parameters

• Formula: C47 H38 F12 N11 O3 P2 Ru2
• Calculated formula: C47 H38 F12 N11 O3 P2 Ru2
• SMILES: c1cccc[n]1[Ru](C#[N][Ru]123([n]4c(c5cccc(c6cccc[n]26)[n]15)cccc4)[n]1c(c2cccc[n]32)cccc1)(C#N)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O.O
• Title of publication: Emissive cyanide-bridged bimetallic compounds as building blocks for polymeric antennae.
• Authors of publication: Cadranel, Alejandro; Aramburu Trošelj, Bruno M; Yamazaki, Shiori; Alborés, Pablo; Kleiman, Valeria D.; Baraldo, Luis M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16723 - 16732
• a: 13.8415 ± 0.0011 Å
• b: 17.7504 ± 0.0011 Å
• c: 22.213 ± 0.002 Å
• α: 90°
• β: 101.602 ± 0.009°
• γ: 90°
• Cell volume: 5346.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.2242
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No