Information card for entry 4066436

Structure parameters

• Formula: C53 H62 N2 Ru
• Calculated formula: C53 H62 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]81/C(=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1)/C(=N/c1c(cccc1C(C)C)C(C)C)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: 11.445 ± 0.0003 Å
• b: 12.1246 ± 0.0003 Å
• c: 17.3136 ± 0.0004 Å
• α: 91.118 ± 0.001°
• β: 97.572 ± 0.001°
• γ: 107.198 ± 0.001°
• Cell volume: 2270.76 ± 0.1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No