Information card for entry 4317826

Structure parameters

• Formula: C29 H39 Cl3 Cu N2 O4
• Calculated formula: C29 H39 Cl3 Cu N6
• Title of publication: Lowering Melting Points in Asymmetrically Substituted Salen-Copper(II) Complexes Exhibiting Mesomorphic Behavior. Structure of the Mesogen Cu(5-hexyloxySalen)
• Authors of publication: Reinhard Paschke; Dörte Balkow; E. Sinn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1949 - 1953
• a: 12.162 ± 0.006 Å
• b: 12.849 ± 0.005 Å
• c: 11.026 ± 0.005 Å
• α: 108 ± 0.02°
• β: 102.2 ± 0.03°
• γ: 73.86 ± 0.03°
• Cell volume: 1559.2 ± 1.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 2.47
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No