Information card for entry 4328184

Structure parameters

• Formula: C30 H36 Cl F6 N4 O4 P Ru2
• Calculated formula: C30 H36 Cl F6 N4 O4 P Ru2
• SMILES: [Ru]123([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[n]1ccccc1[N]1[Ru]24567(Cl)([n]8c([N]3=1)cccc8)[c]1([cH]2[cH]4[c]5([cH]6[cH]71)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Asymmetrical Diruthenium Complex Bridged by a Redox-Active Ligand
• Authors of publication: Amit Das; Thomas Michael Scherer; Abhishek Dutta Chowdhury; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1675 - 1684
• a: 14.1822 ± 0.0002 Å
• b: 16.3106 ± 0.0003 Å
• c: 29.7326 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6877.75 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No