Information card for entry 4324358

Structure parameters

• Formula: C43 H51 Cl2 N3 O3 Ru2 S2
• Calculated formula: C43 H51 Cl2 N3 O3 Ru2 S2
• SMILES: [Ru]123456(Cl)(N(c7c(O1)cc1N([Ru]89%10%11%12(Cl)(Oc1c7)[c]1([cH]%12[cH]%11[c]%10([cH]9[cH]81)C)C(C)C)c1c(SC)cccc1)c1c(SC)cccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.C(#N)C.OC
• 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: 36.128 ± 0.004 Å
• b: 11.6518 ± 0.0013 Å
• c: 23.099 ± 0.003 Å
• α: 90°
• β: 96.245 ± 0.009°
• γ: 90°
• Cell volume: 9666 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1731
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No