Information card for entry 7108854

Structure parameters

• Formula: C52 H34 F4 N4 O12 Ru2
• Calculated formula: C52 H34 F4 N4 O12 Ru2
• SMILES: [Ru]1234([n]5c6ccccc6[n](c6ccccc56)[Ru]5678[Ru]([n]9c%10ccccc%10nc%10ccccc9%10)([O]=C(c9ccc(cc9)F)O6)(OC(c6ccc(F)cc6)=[O]8)([O]=C(c6ccc(cc6)F)O5)OC(c5ccc(F)cc5)=[O]7)[O]=C(c5ccc(cc5)F)O[Ru]2([O]=C(c2ccc(cc2)F)O3)(OC(c2ccc(F)cc2)=[O]4)[O]=C(c2ccc(F)cc2)O1.O=N(=O)c1ccccc1.N(=O)(=O)c1ccccc1.O=N(=O)c1ccccc1.N(=O)(=O)c1ccccc1
• Title of publication: CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.
• Authors of publication: Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 1594 - 1596
• a: 10.064 ± 0.003 Å
• b: 11.778 ± 0.004 Å
• c: 20.097 ± 0.006 Å
• α: 90°
• β: 91.221 ± 0.005°
• γ: 90°
• Cell volume: 2381.6 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No