Information card for entry 7017713

Structure parameters

• Formula: C33 H30 F12 N9 O0.5 P2 Ru
• Calculated formula: C33 H30 F12 N9 O0.5 P2 Ru
• SMILES: [Ru]123(=C4N(CN5C=CN(c6cccc[n]26)C=15)C=CN4c1ccccn1)([n]1c2c4c(ccc[n]34)ccc2ccc1)[N]#CC.C(C)OCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.
• Authors of publication: Liu, Xiaolong; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 599 - 608
• a: 12.7209 ± 0.0005 Å
• b: 15.8088 ± 0.0006 Å
• c: 19.1257 ± 0.0008 Å
• α: 86.483 ± 0.003°
• β: 81.993 ± 0.003°
• γ: 84.403 ± 0.003°
• Cell volume: 3786.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No