Information card for entry 4334056

Structure parameters

• Formula: C68 H104 Cd6 Cl2 N12 O15 S12
• Calculated formula: C68 H104.04 Cd6 Cl2 N12 O15 S12
• Title of publication: Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle
• Authors of publication: Wei Lai; Steven M. Berry; William P. Kaplan; Malia S. Hain; John C. Poutsma; Raymond J. Butcher; Robert D. Pike; Deborah C. Bebout
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2286 - 2288
• a: 13.181 ± 0.01 Å
• b: 13.181 ± 0.01 Å
• c: 43.83 ± 0.06 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6595 ± 11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No