Information card for entry 7013878

Structure parameters

• Formula: C25 H49.5 Cd3 Cl N11.5 O20 S2
• Calculated formula: C25 H51.5 Cd3 Cl N11.5 O20 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: 9.4869 ± 0.0005 Å
• b: 30.608 ± 0.002 Å
• c: 16.5411 ± 0.0009 Å
• α: 90°
• β: 94.385 ± 0.002°
• γ: 90°
• Cell volume: 4789.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No