Information card for entry 7011925

Structure parameters

• Chemical name: COMPLEX 2
• Formula: C20 H52 Br6 Cd2 Cu3 N4 O6 S2
• Calculated formula: C20 H52 Br6 Cd2 Cu3 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: 31.395 ± 0.002 Å
• b: 8.0019 ± 0.0006 Å
• c: 18.748 ± 0.001 Å
• α: 90°
• β: 118.107 ± 0.001°
• γ: 90°
• Cell volume: 4154.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.058
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No