Information card for entry 4108955

Structure parameters

• Formula: C22 H34 O4 Rh2 S2
• Calculated formula: C22 H34 O4 Rh2 S2
• Title of publication: Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State: Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand
• Authors of publication: Hidetaka Nakai; Takashi Nonaka; Yousuke Miyano; Motohiro Mizuno; Yoshiki Ozawa; Koshiro Toriumi; Nobuaki Koga; Takanori Nishioka; Masahiro Irie; Kiyoshi Isobe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17836 - 17845
• a: 8.3631 ± 0.0004 Å
• b: 36.664 ± 0.002 Å
• c: 8.4047 ± 0.0004 Å
• α: 90°
• β: 115.262 ± 0.001°
• γ: 90°
• Cell volume: 2330.6 ± 0.2 ų
• Cell temperature: 110.2 K
• Sample thermal history: photo irradiation for 190h at 110K and keep in the dark for 12h at 293K
• 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: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No