Information card for entry 2018042

Structure parameters

• Common name: tu296
• Chemical name: <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)‒ <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (5/1)
• Formula: C20 H22 Cu0.83 O4 Pd0.17
• Calculated formula: C20 H22 Cu0.834 O4 Pd0.166
• Title of publication: <i>trans</i>-Bis(hinokitiolato)copper(II) <i>trans</i>-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations
• Authors of publication: Ho, Douglas M.; Zdilla, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m100 - m104
• a: 9.1971 ± 0.0006 Å
• b: 9.8999 ± 0.0006 Å
• c: 11.0409 ± 0.0007 Å
• α: 90°
• β: 113.223 ± 0.0009°
• γ: 90°
• Cell volume: 923.83 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes