Information card for entry 4324357

Structure parameters

• Formula: C40 H38 Cl2 F6 N2 O2 Ru2
• Calculated formula: C40 H38 Cl2 F6 N2 O2 Ru2
• SMILES: [Ru]123456(Cl)(Oc7cc8N([Ru]9%10%11%12%13(Cl)(Oc8cc7N1c1c(cccc1)C(F)(F)F)[c]1([cH]9[cH]%10[c]%11([cH]%12[cH]%131)C)C(C)C)c1c(cccc1)C(F)(F)F)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C
• Title of publication: One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes
• Authors of publication: David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1150 - 1159
• a: 17.592 ± 0.004 Å
• b: 12.234 ± 0.002 Å
• c: 19.212 ± 0.004 Å
• α: 90°
• β: 107.35 ± 0.03°
• γ: 90°
• Cell volume: 3946.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No