Information card for entry 4305519

Structure parameters

• Formula: C40 H72 Cu N6 O6
• Calculated formula: C40 H72 Cu N6 O6
• SMILES: [Cu]12([n]3ccccc3C[NH]1CCCCCCCCCCCCCC)([n]1ccccc1C[NH]2CCCCCCCCCCCCCC)ON(=O)=O.O=N(=O)[O-]
• 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: 9.5722 ± 0.0002 Å
• b: 11.6249 ± 0.0003 Å
• c: 21.4333 ± 0.0005 Å
• α: 79.767 ± 0.001°
• β: 78.759 ± 0.001°
• γ: 69.376 ± 0.001°
• Cell volume: 2173.85 ± 0.09 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: 0.0728
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No