Information card for entry 4067576

Structure parameters

• Formula: C31 H34 B2 F6 N6 O P Ru
• Calculated formula: C31 H34 B2 F6 N6 O P Ru
• SMILES: [Ru]123456([O]7[B](n8[n]5ccc8)(n5[n]([B]7(n7[n]6ccc7)c6ccccc6)ccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactions of [Cp*RuCl]4and [(p-cymene)RuCl2]2with the Tridentate Ligand [Ph(pz)B(μ-O)(μ-pz)B(pz)Ph]−
• Authors of publication: Mutseneck, Elena V.; Reus, Christian; Schödel, Frauke; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 966
• a: 17.3669 ± 0.001 Å
• b: 19.0891 ± 0.0016 Å
• c: 19.8608 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6584.2 ± 0.8 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: 0.0444
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No