Information card for entry 4518305

Structure parameters

• Formula: C16 H20 O4 Rh
• Calculated formula: C16 H20 O4 Rh
• SMILES: [Rh]1(Oc2c(O1)c(ccc2C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.
• Authors of publication: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 50
• Pages of publication: 32792 - 32799
• a: 6.5696 ± 0.0004 Å
• b: 20.9644 ± 0.0011 Å
• c: 23.7521 ± 0.0013 Å
• α: 90°
• β: 90.06 ± 0.002°
• γ: 90°
• Cell volume: 3271.3 ± 0.3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No