Information card for entry 4067578

Structure parameters

• Formula: C26 H34 Cl F6 N4 P Ru2
• Calculated formula: C26 H34 Cl F6 N4 P Ru2
• SMILES: [Ru]1234567([Cl][Ru]89%10%11%12([n]%13n1ccc%13)([n]1n2ccc1)[c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)C(C)C)C)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)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: 9.7135 ± 0.0014 Å
• b: 11.8784 ± 0.0018 Å
• c: 14.03 ± 0.003 Å
• α: 82.334 ± 0.015°
• β: 76.888 ± 0.015°
• γ: 72.988 ± 0.012°
• Cell volume: 1503.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.2545
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No