Information card for entry 4121265

Structure parameters

• Formula: C40 H40 F4 O14 Ru2
• Calculated formula: C40 H40 F4 O14 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)c1c(OC)cc(F)cc1)(OC(=[O]2)c1c(OC)cc(F)cc1)([O]=C(O3)c1c(OC)cc(F)cc1)(OC(=[O]4)c1c(OC)cc(F)cc1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers
• Authors of publication: Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18469 - 18480
• a: 10.6349 ± 0.0019 Å
• b: 34.971 ± 0.006 Å
• c: 10.8056 ± 0.0019 Å
• α: 90°
• β: 102.586 ± 0.002°
• γ: 90°
• Cell volume: 3922.2 ± 1.2 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No