Information card for entry 2017332

Structure parameters

• Common name: dmh099
• Chemical name: (+<i>ac</i>,-<i>ac</i>)-<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta- 1,3,5-trienolato)copper(II) chloroform disolvate
• Formula: C22 H24 Cl6 Cu O4
• Calculated formula: C22 H24 Cl6 Cu O4
• SMILES: O1[Cu]2([O]=C3C1=CC=CC(=C3)C(C)C)[O]=C1C(=CC=CC(=C1)C(C)C)O2.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: (+<i>ac</i>,{-}<i>ac</i>)-<i>trans</i>-Bis(hinokitiolato)copper(II) and its chloroform disolvate
• Authors of publication: Ho, Douglas M.; Berardini, Michael E.; Arvanitis, Georgia M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m391 - m394
• a: 6.1893 ± 0.0002 Å
• b: 8.4581 ± 0.0003 Å
• c: 25.7989 ± 0.001 Å
• α: 95.73 ± 0.002°
• β: 91.884 ± 0.002°
• γ: 100.878 ± 0.003°
• Cell volume: 1317.82 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes