Information card for entry 4104597

Structure parameters

• Formula: C78 H82 Cl2 F12 N8 O2 P2 Ru2
• Calculated formula: C78 H82 Cl2 F12 N8 O2 P2 Ru2
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)N(c1ccccc1)[Ru]13([n]4ccccc4c4[n]1c(c1[n]5c4c4[n](cccc4)[Ru]45(N(c5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O4)c4ccccc4)([n]4ccccc14)Cl)c1[n]3cccc1)(O2)Cl.[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C
• Title of publication: A Five-Center Redox System: Molecular Coupling of Two Noninnocent Imino-o-benzoquinonato-Ruthenium Functions through a π Acceptor Bridge
• Authors of publication: Atanu Kumar Das; Biprajit Sarkar; Jan Fiedler; Stanislav Zális; Ingo Hartenbach; Sabine Strobel; Goutam Kumar Lahiri; Wolfgang Kaim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8895 - 8902
• a: 12.6603 ± 0.0011 Å
• b: 13.2237 ± 0.0011 Å
• c: 12.9492 ± 0.0009 Å
• α: 81.382 ± 0.005°
• β: 62.819 ± 0.006°
• γ: 76.633 ± 0.005°
• Cell volume: 1873.8 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No