Information card for entry 4068585

Structure parameters

• Formula: C13 H20 I2 N2 Ru
• Calculated formula: C13 H20 I2 N2 Ru
• SMILES: [Ru]12345(I)(I)(=C6NCCN6)[cH]6[c]5([cH]4[cH]3[c]2([cH]16)C(C)C)C
• Title of publication: Template Synthesis of Ruthenium Complexes with Saturated and Benzannulated NH,NH-Stabilized N-Heterocyclic Carbene Ligands
• Authors of publication: Kaufhold, Oliver; Flores-Figueroa, Aarón; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 896
• a: 8.0779 ± 0.0012 Å
• b: 25.339 ± 0.004 Å
• c: 8.4881 ± 0.0012 Å
• α: 90°
• β: 110.13 ± 0.003°
• γ: 90°
• Cell volume: 1631.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No