Information card for entry 7047569

Structure parameters

• Formula: C90 H70 N4 O4 P4 Ru2
• Calculated formula: C90 H70 N4 O4 P4 Ru2
• Title of publication: Effect of positional isomerism on the spectroelectrochemical response of 3,6-bis(2-pyridyl)-diketopyrrolopyrrolate bridged bis(carbonylhydridoruthenium) compounds.
• Authors of publication: Hazari, Arijit Singha; Ghosh, Prabir; Beyer, Katharina; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 14078 - 14084
• a: 10.5994 ± 0.0003 Å
• b: 12.0532 ± 0.0004 Å
• c: 16.8855 ± 0.0004 Å
• α: 101.756 ± 0.002°
• β: 104.22 ± 0.002°
• γ: 101.333 ± 0.003°
• Cell volume: 1976.97 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No