Information card for entry 4067575

Structure parameters

• Formula: C31 H34 B2 N6 O Ru
• Calculated formula: C31 H34 B2 N6 O Ru
• SMILES: [Ru]123456([O]7[B@](n8[n]5ccc8)(n5[n]([B@@]7(n7[n]6ccc7)c6ccccc6)ccc5)c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)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: 12.4313 ± 0.0008 Å
• b: 12.4528 ± 0.0008 Å
• c: 20.3567 ± 0.0013 Å
• α: 89.748 ± 0.005°
• β: 89.806 ± 0.005°
• γ: 79.999 ± 0.005°
• Cell volume: 3103.4 ± 0.3 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: 0.0563
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No