Information card for entry 7031931

Structure parameters

• Common name: [Ru([9]aneS~3~)(mpp)(PTA)][Cl~2~]
• Formula: C22 H39 Cl2 N6 O3 P Ru S3
• Calculated formula: C22 H39 Cl2 N6 O3 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: 10.877 ± 0.006 Å
• b: 11.842 ± 0.0017 Å
• c: 12.902 ± 0.003 Å
• α: 102.179 ± 0.008°
• β: 111.389 ± 0.003°
• γ: 91.558 ± 0.003°
• Cell volume: 1502.6 ± 0.9 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: 0.0521
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Duplicate of: 7031617
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No