Information card for entry 7031616

Structure parameters

• Common name: [Ru([9]aneS~3~)(cppH)(PTA)][Cl~2~]
• Formula: C22 H35.5 Cl2.5 N6 O4.75 P Ru S3
• Calculated formula: C22 H35.5 Cl2.5 N6 O4.75 P Ru S3
• 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: 10.864 ± 0.0005 Å
• b: 12.513 ± 0.0003 Å
• c: 15.279 ± 0.0008 Å
• α: 112.547 ± 0.005°
• β: 105.61 ± 0.004°
• γ: 96.533 ± 0.004°
• Cell volume: 1791.74 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No