Information card for entry 7042554

Structure parameters

• Formula: C86 H114 N4 O6 S6
• Calculated formula: C86 H114 N4 O6 S6
• Title of publication: A structurally characterised redox pair involving an indigo radical: indigo based redox activity in complexes with one or two [Ru(bpy)2] fragments.
• Authors of publication: Chatterjee, Madhumita; Mondal, Prasenjit; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5091 - 5102
• a: 33.287 ± 0.011 Å
• b: 5.6052 ± 0.0019 Å
• c: 45.613 ± 0.015 Å
• α: 90°
• β: 110.234 ± 0.005°
• γ: 90°
• Cell volume: 7985 ± 5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2587
• Residual factor for significantly intense reflections: 0.2118
• Weighted residual factors for significantly intense reflections: 0.5023
• Weighted residual factors for all reflections included in the refinement: 0.5278
• Goodness-of-fit parameter for all reflections included in the refinement: 2.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.39739 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No