Information card for entry 2018043

Structure parameters

• Common name: tu369
• 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) (3/2)
• Formula: C20 H22 Cu0.6 O4 Pd0.4
• Calculated formula: C20 H22 Cu0.601 O4 Pd0.399
• 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: 9.1703 ± 0.0012 Å
• b: 9.8475 ± 0.0012 Å
• c: 10.985 ± 0.0014 Å
• α: 90°
• β: 112.681 ± 0.0019°
• γ: 90°
• Cell volume: 915.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes