Information card for entry 4067577

Structure parameters

• Formula: C31 H33 B2 F6 N6 O P Ru
• Calculated formula: C31 H33 B2 F6 N6 O P Ru
• SMILES: [Ru]1234567([O]8[B](n9[n]1ccc9)(n1[n]([B]8(n8[n]2ccc8)c2ccccc2)ccc1)c1ccccc1)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)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: 10.2902 ± 0.0008 Å
• b: 18.1133 ± 0.0017 Å
• c: 19.928 ± 0.0017 Å
• α: 90°
• β: 98.294 ± 0.006°
• γ: 90°
• Cell volume: 3675.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No