Information card for entry 7036121

Structure parameters

• Chemical name: trans,cis-[RuCl2(CO)2(cppCH3-Np)]
• Formula: C13 H9.9 Cl2 N3 O4.45 Ru
• Calculated formula: C13 H9.9 Cl2 N3 O4.45 Ru
• 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: 6.564 ± 0.0013 Å
• b: 21.643 ± 0.004 Å
• c: 11.766 ± 0.002 Å
• α: 90°
• β: 103.35 ± 0.03°
• γ: 90°
• Cell volume: 1626.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No