Information card for entry 7031615

Structure parameters

• Common name: [Ru([9]aneS~3~)(cpp)(PTAH)][Cl~2~]
• Formula: C44 H62 Cl4 N12 O16.5 P2 Ru2 S6
• Calculated formula: C44 H62 Cl4 N12 O16.5 P2 Ru2 S6
• 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: 20.543 ± 0.006 Å
• b: 24.132 ± 0.004 Å
• c: 28.016 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13889 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No