Information card for entry 4317415

Structure parameters

• Formula: C48 H78 Cl4 Cu O6
• Calculated formula: C48 H78 Cl4 Cu O6
• SMILES: C(Cl)Cl.[Cu]12([O]=C3C(=CC=C(C=C3)OCCCCCCCCCCCCCCCC)O1)[O]=C1C(=CC=C(C=C1)OCCCCCCCCCCCCCCCC)O2.C(Cl)Cl
• Title of publication: Criteria for Liquid Crystal Formation in 5-Alkoxy-, 5-Alkylamino-, and 5-Alkanoyl-tropolone Complexes of Transition Metals (CuII, ZnII, NiII, CoII, UO2VI, VOIV). The First Uranium Metallomesogen. Crystal Structure of Bis(5-hexadecyloxytropolonato)copper(II)
• Authors of publication: James M. Elliott; John R. Chipperfield; Stephen Clark; Simon J. Teat; Ekkehard Sinn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 293 - 299
• a: 4.1615 ± 0.0008 Å
• b: 9.6687 ± 0.0018 Å
• c: 30.777 ± 0.006 Å
• α: 87.414 ± 0.005°
• β: 89.308 ± 0.005°
• γ: 81.721 ± 0.005°
• Cell volume: 1224.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.6878 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No