Information card for entry 7017715

Structure parameters

• Formula: C51 H50 F12 N10 P4 Ru
• Calculated formula: C51 H50 F12 N10 P4 Ru
• SMILES: c1cccc(n1)N1C2N(C=C1)CN1C(N(C=C1)c1ccccn1)=[Ru]1=2([N]#CC)([N]#CC)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• 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: 12.2411 ± 0.0003 Å
• b: 15.6921 ± 0.0007 Å
• c: 16.1366 ± 0.0008 Å
• α: 66.734 ± 0.004°
• β: 77.441 ± 0.003°
• γ: 77.248 ± 0.003°
• Cell volume: 2747.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No