Information card for entry 7044579

Structure parameters

• Formula: C102 H100 N8 O32.5 Ru6
• Calculated formula: C102 H100 N8 O32.5 Ru6
• Title of publication: Non-innocence and mixed valency in tri- and tetranuclear ruthenium complexes of a heteroquinone bridging ligand
• Authors of publication: Ansari, Mohd. Asif; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Schwederski, Brigitte; Kaim, W.; Lahiri, Goutam Kumar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.7442 ± 0.0002 Å
• b: 14.8795 ± 0.0003 Å
• c: 17.1035 ± 0.0003 Å
• α: 106.199 ± 0.002°
• β: 103.748 ± 0.002°
• γ: 100.635 ± 0.002°
• Cell volume: 2685.21 ± 0.1 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No