Information card for entry 4321986

Structure parameters

• Formula: C12 H34 Cl4 Cu2 N6
• Calculated formula: C12 Cl4 Cu2 N6
• SMILES: [Cu]123([NH2]CCC[NH]2CCC[NH2]1)[Cl][Cu]12([NH2]CCC[NH]2CCC[NH2]1)[Cl]3.[Cl-].[Cl-]
• Title of publication: Synthesis, Structure, and Magnetic Properties of a New Chloro-Bridged Dimer [Cu2(dpt)2Cl2]Cl2 with an Unusual Structure and Ferromagnetic Coupling
• Authors of publication: Montserrat Rodríguez; Antoni Llobet; Montserrat Corbella; Arthur E. Martell; Joseph Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2328 - 2334
• a: 17.201 ± 0.002 Å
• b: 10.873 ± 0.002 Å
• c: 11.835 ± 0.002 Å
• α: 90°
• β: 99.72 ± 0.01°
• γ: 90°
• Cell volume: 2181.7 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No