Information card for entry 7017717

Structure parameters

• Formula: C27 H40 F12 N12 P2 Ru
• Calculated formula: C27 H40 F12 N12 P2 Ru
• SMILES: [Ru]123(=C4N(C=CN4c4ccccn4)CN4C=1N(C=C4)c1cccc[n]21)([NH2]CCC[NH2]3)[NH]=C(C)NCCCN.C(#N)C.[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: 12.3876 ± 0.0006 Å
• b: 12.7519 ± 0.0005 Å
• c: 13.4337 ± 0.0005 Å
• α: 90.291 ± 0.003°
• β: 93.539 ± 0.003°
• γ: 116.079 ± 0.004°
• Cell volume: 1901.15 ± 0.15 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: 0.0735
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No