Information card for entry 7009841

Structure parameters

• Formula: C53 H66 N8 O3 Ru
• Calculated formula: C53 H62 N8 O3 Ru
• 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: 11.7219 ± 0.0005 Å
• b: 17.5925 ± 0.0008 Å
• c: 24.522 ± 0.001 Å
• α: 90°
• β: 101.083 ± 0.003°
• γ: 90°
• Cell volume: 4962.6 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1741
• Weighted residual factors for significantly intense reflections: 0.1482
• Goodness-of-fit parameter for all reflections: 1.231
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No