Information card for entry 4085609

Structure parameters

• Formula: C41 H34 Au Cl F12 N8 P2 Ru
• Calculated formula: C41 H34 Au Cl F12 N8 P2 Ru
• SMILES: [Au](Cl)=C1N(C=CN1Cc1ccc2[n]([Ru]34([n]5ccccc5c5[n]3cccc5)([n]3ccccc23)[n]2c(c3[n]4cccc3)cccc2)c1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands
• Authors of publication: Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1046
• a: 12.26 ± 0.006 Å
• b: 21.8 ± 0.013 Å
• c: 32.613 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8716 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No