Information card for entry 7011967

Structure parameters

• Formula: C19 H25 Cl2 Cu N O9 S4
• Calculated formula: C19 H25 Cl2 Cu N O9 S4
• SMILES: [Cu]1234[S]5Cc6cccc(C[S]3CC[S]2Cc2c(C[S]1CC5)cccc2)[n]46.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: A new NS4 quinquedentate macrocyclic ligand: synthesis, structure and properties of its Ni(ii), Pd(ii), Pt(ii), Cu(ii), Cu(i) and Ag(i) complexesPresented at ISMC-2001 held in Fukuoka, Japan from July 15‒20, 2001.Electronic supplementary information (ESI) available: synthetic scheme for macrocyclic complexes 12‒17; views of 12, 15 and 16; cyclic voltammograms of 13 and 14. See http://www.rsc.org/suppdata/dt/b2/b206182a/
• Authors of publication: Vetrichelvan, Muthalagu; Lai, Yee-Hing; Fun Mok, Kum
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 295
• a: 11.1837 ± 0.0001 Å
• b: 11.5515 ± 0.0001 Å
• c: 12.7592 ± 0.0001 Å
• α: 106.658 ± 0.001°
• β: 115.962 ± 0.001°
• γ: 100.95 ± 0.001°
• Cell volume: 1321.17 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.1183
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No