Information card for entry 4066437

Structure parameters

• Formula: C41 H34 Cl4 N2 Ru
• Calculated formula: C41 H34 Cl4 N2 Ru
• SMILES: [Ru]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([cH]5[cH]6[cH]7[c]81C(=N\c1c(Cl)cccc1Cl)\c1ccccc1)C(=N\c1c(Cl)cccc1Cl)\c1ccccc1
• 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: 9.9421 ± 0.0004 Å
• b: 10.9536 ± 0.0004 Å
• c: 17.63 ± 0.0007 Å
• α: 105.797 ± 0.002°
• β: 99.986 ± 0.003°
• γ: 97.418 ± 0.002°
• Cell volume: 1787.67 ± 0.12 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No