Information card for entry 4067582

Structure parameters

• Formula: C34 H35 B3 N4 O3 Ru
• Calculated formula: C34 H35 B3 N4 O3 Ru
• SMILES: [Ru]1234567([O]8[B](OB(O[B]8(n8[n]2ccc8)c2ccccc2)c2ccccc2)(n2[n]1ccc2)c1ccccc1)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C
• 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: 9.4718 ± 0.0005 Å
• b: 10.0361 ± 0.0005 Å
• c: 17.2208 ± 0.0009 Å
• α: 94.236 ± 0.004°
• β: 97.484 ± 0.004°
• γ: 104.593 ± 0.004°
• Cell volume: 1560.96 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No