Information card for entry 7023318

Structure parameters

• Formula: C25 H21 I N6 O Ru
• Calculated formula: C25 H21 I N6 O Ru
• SMILES: [n]12ccccc1c1[n](cccc1)[Ru]132(=C2N(C=CN2C)c2c1c(ccc2)N1C=CN(C=31)C)C#[O].[I-]
• Title of publication: Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.
• Authors of publication: Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13161 - 13171
• a: 8.4655 ± 0.0005 Å
• b: 15.8272 ± 0.0009 Å
• c: 18.9515 ± 0.0011 Å
• α: 90°
• β: 100.909 ± 0.002°
• γ: 90°
• Cell volume: 2493.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No