Information card for entry 4347188

Structure parameters

• Formula: C54 H32 F16 N4 O8.4 Ru2
• Calculated formula: C54 H26 F16 N4 O8.4 Ru2
• Title of publication: Tuning of Stepwise Neutral-Ionic Transitions by Acceptor Site Doping in Alternating Donor/Acceptor Chains.
• Authors of publication: Nakabayashi, Keita; Nishio, Masaki; Miyasaka, Hitoshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2473 - 2480
• a: 14.803 ± 0.002 Å
• b: 10.5598 ± 0.0016 Å
• c: 17.269 ± 0.003 Å
• α: 90°
• β: 96.7292 ± 0.0018°
• γ: 90°
• Cell volume: 2680.8 ± 0.7 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No