Information card for entry 7011926

Structure parameters

• Formula: C24 H64 Cd4 Cl6 Cu2 N6 O8
• Calculated formula: C24 H64 Cd4 Cl6 Cu2 N6 O8
• SMILES: C1C[N]([Cu]234[Cl][Cd]567(Cl)[O]13[Cd]1(Cl)([O]45CC[N]2(C)C)([N](C)(CC[O]61[Cd]123([Cl][Cu]456[N](CC[O]15[Cd]1(Cl)([N](CC[O]731)(C)C)([OH2])[O]26CC[N]4(C)C)(C)C)Cl)C)[OH2])(C)C
• Title of publication: Novel heterometallic Cd/Cu complexes prepared using zerovalent copper: control of the nuclearity and structural diversity by halide counterions
• Authors of publication: Vinogradova, Elena A.; Vassilyeva, Olga Yu.; Kokozay, Volodymyr N.; Skelton, Brian W.; Bjernemose, Jens K.; Raithby, Paul R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4248
• a: 8.835 ± 0.002 Å
• b: 11.865 ± 0.002 Å
• c: 21.463 ± 0.004 Å
• α: 90°
• β: 91.105 ± 0.005°
• γ: 90°
• Cell volume: 2249.5 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections: 1.434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No