Information card for entry 7031932

Structure parameters

• Formula: C24 H35 F12 N6 P3 Ru S3
• Calculated formula: C24 H35 F12 N6 P3 Ru S3
• SMILES: [Ru]123([P]45CN6CN(C4)CN(C5)C6)([n]4ccccc4c4[n]1cccc4)[S]1CC[S]2CC[S]3CC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex.
• Authors of publication: Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12160 - 12163
• a: 37.772 Å
• b: 11.25 Å
• c: 16.318 Å
• α: 90°
• β: 108.02°
• γ: 90°
• Cell volume: 6593.96 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Duplicate of: 7031618
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No