Information card for entry 7010480

Structure parameters

• Formula: C16 H27 Cu F6 N5 O8 S2
• Calculated formula: C16 H26 Cu F6 N5 O8 S2
• SMILES: [Cu]12([NH](CCn3[n]1c(cc3C)C)CCn1[n]2c(cc1C)C)([OH2])[OH2].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: The synthesis of the ligand 5-bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]amine-1,10-phenanthroline and of its ruthenium(II) and rhenium(I) complexes. Binuclear species with Cu(I) and some photophysical properties†
• Authors of publication: Riklin, Marianne; Tran, Dat; Bu, Xianhui; Laverman, Leroy E.; Ford, Peter C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1813
• a: 13.2155 ± 0.0002 Å
• b: 24.1634 ± 0.0003 Å
• c: 17.2183 ± 0.0003 Å
• α: 90°
• β: 90.82°
• γ: 90°
• Cell volume: 5497.78 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections: 0.1715
• Weighted residual factors for significantly intense reflections: 0.1652
• Goodness-of-fit parameter for all reflections: 1.801
• Goodness-of-fit parameter for significantly intense reflections: 2.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No