Information card for entry 7017628

Structure parameters

• Formula: C42 H33 Cl F6 N6 O P2 Ru
• Calculated formula: C42 H33 Cl F6 N6 O P2 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c4c5c(ccc4ccc3N3C=1N(Cc1ncccc1)C=C3)ccc[n]25)C#[O].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.
• Authors of publication: Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 962 - 970
• a: 10.4399 ± 0.0003 Å
• b: 13.3041 ± 0.0003 Å
• c: 29.3523 ± 0.001 Å
• α: 90°
• β: 98.634 ± 0.003°
• γ: 90°
• Cell volume: 4030.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No