Information card for entry 7009840

Structure parameters

• Formula: C44 H50 F12 N8 O4 P2 Ru
• Calculated formula: C44 H50 F12 N8 O4 P2 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1cc(cc2c3cc(cc[n]3[Ru]34([n]12)([n]1c2ccccc2[nH]c1c1[n]4c2ccccc2[nH]1)[n]1ccc(cc1c1cc(cc[n]31)C)C)C)C.O=C(C)C.O.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.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: 22.7551 ± 0.0005 Å
• b: 23.912 ± 0.0005 Å
• c: 9.641 ± 0.0003 Å
• α: 90°
• β: 112.708 ± 0.003°
• γ: 90°
• Cell volume: 4839.2 ± 0.2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.1233
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No