Information card for entry 1519162

Structure parameters

• Formula: C38 H26 Cu F6 N6 O7 S2
• Calculated formula: C38 Cu F6 N6 O7 S2
• SMILES: [Cu]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Crystal and Molecular Structure of Tris(1,10-phenanthroline)copper(II) Trifluoromethylsulfonate Monohydrate
• Authors of publication: Sletten, Jorunn; Julve, Miguel
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 631 - 633
• a: 10.7448 ± 0.0003 Å
• b: 13.4992 ± 0.0003 Å
• c: 14.8755 ± 0.0004 Å
• α: 104.165 ± 0.001°
• β: 104.284 ± 0.001°
• γ: 105.723 ± 0.001°
• Cell volume: 1897.1 ± 0.09 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1494
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No