Information card for entry 7017626

Structure parameters

• Formula: C43 H36 Cl F6 N7 P2 Ru
• Calculated formula: C43 H36 Cl F6 N7 P2 Ru
• SMILES: [Ru]12(Cl)([n]3c(N4C=2N(C=C4)Cc2ncccc2)ccc2c3c3[n]1cccc3cc2)([N]#CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[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: 22.613 ± 0.002 Å
• b: 12.4255 ± 0.0014 Å
• c: 29.17 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8196.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No