Information card for entry 7011924

Structure parameters

• Chemical name: COMPLEX 1
• Formula: C20 H52 Cd2 Cu2 I4 N4 O6 S2
• Calculated formula: C20 H52 Cd2 Cu2 I4 N4 O6 S2
• 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: 8.424 ± 0.0003 Å
• b: 18.188 ± 0.0007 Å
• c: 13.452 ± 0.0005 Å
• α: 90°
• β: 97.576 ± 0.002°
• γ: 90°
• Cell volume: 2043.07 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.08
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No