Information card for entry 4121267

Structure parameters

• Formula: C40 H40 Cl4 O14 Rh2
• Calculated formula: C40 H40 Cl4 O14 Rh2
• SMILES: C1(c2c(cc(cc2)Cl)OC)=[O][Rh]234([O]=C(c5ccc(cc5OC)Cl)O[Rh]4([O]=C(c4c(cc(cc4)Cl)OC)O2)(O1)([O]=C(O3)c1c(OC)cc(cc1)Cl)[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: 12.686 ± 0.003 Å
• b: 12.859 ± 0.003 Å
• c: 12.828 ± 0.003 Å
• α: 90°
• β: 92.226 ± 0.008°
• γ: 90°
• Cell volume: 2091 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No