Information card for entry 7036124

Structure parameters

• Chemical name: trans,cis-[RuCl2(dmso-S)2(mpp-Np)]
• Formula: C43 H67 Cl6 N9 O7 Ru3 S6
• Calculated formula: C43 H66.9996 Cl6 N9 O6.9999 Ru3 S6
• Title of publication: (15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.
• Authors of publication: Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15671 - 15682
• a: 23.066 ± 0.0014 Å
• b: 23.066 ± 0.0014 Å
• c: 19.425 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8950 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No