Information card for entry 7013875

Structure parameters

• Formula: C8.25 H18 Cd Cl0.5 N4 O6 S2
• Calculated formula: C8.25 H18 Cd Cl0.5 N4 O6 S2
• Title of publication: Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.
• Authors of publication: Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1953 - 1959
• a: 9.29 ± 0.0006 Å
• b: 12.9338 ± 0.0008 Å
• c: 13.6222 ± 0.0008 Å
• α: 87.766 ± 0.001°
• β: 84.806 ± 0.001°
• γ: 82.483 ± 0.001°
• Cell volume: 1615.44 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No