Information card for entry 4121765

Structure parameters

• Common name: [Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]
• Formula: C18 H24 O6 Rh
• Calculated formula: C18 H24 O6 Rh
• Title of publication: Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.
• Authors of publication: Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 19
• Pages of publication: 7026 - 7037
• a: 6.0396 ± 0.0008 Å
• b: 29.968 ± 0.004 Å
• c: 21.239 ± 0.003 Å
• α: 90°
• β: 97.449 ± 0.005°
• γ: 90°
• Cell volume: 3811.7 ± 0.9 ų
• Cell temperature: 162 ± 1 K
• Ambient diffraction temperature: 162 ± 1 K
• Number of distinct elements: 4
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No