Information card for entry 4311796

Structure parameters

• Formula: C17 H29 Cl4 Cu2 N3 O S2
• Calculated formula: C17 H29 Cl4 Cu2 N3 O S2
• SMILES: [Cu]12(Cl)[S]=C(N(CC)CC)c3[n]2c(ccc3)C(=[S]1)N(CC)CC.[Cu](Cl)(Cl)(Cl)[OH]CC
• Title of publication: New Tetranuclear Cu(II) Complexes: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Ramesh Kapoor; Ashok Kataria; Paloth Venugopalan; Pratibha Kapoor; Montserrat Corbella; Montserrat Rodríguez; Isabel Romero; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6699 - 6706
• a: 8.295 ± 0.001 Å
• b: 12.713 ± 0.001 Å
• c: 13.025 ± 0.001 Å
• α: 72.21 ± 0.01°
• β: 89.11 ± 0.01°
• γ: 87.21 ± 0.01°
• Cell volume: 1306.3 ± 0.2 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: 0.0298
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No