Information card for entry 4066435

Structure parameters

• Formula: C45 H47 F6 N2 P Ru
• Calculated formula: C45 H47 F6 N2 P Ru
• SMILES: [Ru]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]8([cH]7[cH]6[cH]51)/C(=N\c1c(cccc1C)C)c1ccccc1)C(=[NH+]/c1c(cccc1C)C)/c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands
• Authors of publication: Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3169
• a: 11.2371 ± 0.0006 Å
• b: 17.358 ± 0.0009 Å
• c: 11.4474 ± 0.0008 Å
• α: 90°
• β: 111.317 ± 0.003°
• γ: 90°
• Cell volume: 2080.1 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No