Information card for entry 4305521

Structure parameters

• Formula: C40 H72 Br2 Cu N4
• Calculated formula: C40 H72 Br2 Cu N4
• Title of publication: Influence of the Apical Ligand in the Thermotropic Mesomorphism of Cationic Copper-Based Surfactants
• Authors of publication: Jeffery A. Driscoll; Paul H. Keyes; Mary Jane Heeg; Paul A. Heiney; Claudio N. Verani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7225 - 7232
• a: 9.4679 ± 0.001 Å
• b: 11.2362 ± 0.001 Å
• c: 21.837 ± 0.002 Å
• α: 91.89 ± 0.005°
• β: 96.216 ± 0.005°
• γ: 109.454 ± 0.005°
• Cell volume: 2171.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1363
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No