Information card for entry 7009844

Structure parameters

• Formula: C36 H32 F6 N8 O9 Ru S2
• Calculated formula: C36 H26 F6 N8 O9 Ru S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.c1cccc2[n]1[Ru]13([n]4c(c5[n]1c1ccccc1[nH]5)[nH]c1c4cccc1)([n]1ccccc1c1[n]3cccc1)[n]1c2cccc1.O.O.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Bis(R-bipyridyl)ruthenium bibenzimidazole complexes (R = H, Me or But): supramolecular arrangement via hydrogen bonds, photo- and electro-chemical properties and reactivity towards carbon dioxide
• Authors of publication: Sven Rau; Mario Ruben; Torsten Büttner; Christian Temme; Sylvana Dautz; Helmar Görls; Manfred Rudolph; Dirk Walther; Andre Brodkorb; Marco Duati; Christine O'Connor; Johannes G. Vos
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3649 - 3657
• a: 22.029 ± 0.001 Å
• b: 16.29 ± 0.001 Å
• c: 13.3542 ± 0.0006 Å
• α: 90°
• β: 122.214 ± 0.002°
• γ: 90°
• Cell volume: 4054.5 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1283
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No