Information card for entry 7108016

Structure parameters

• Formula: C36 H46.88 Cd2 N6 Na O25.94 S6
• Calculated formula: C36 H42 Cd2 N6 Na O25.95 S6
• Title of publication: A structural paradigm for 3-periodic semiregular (46.69)-hxg net with high-symmetry hexagonal geometry, constructed from the linear [Cd2NaO6(H2O)6] SBUs and a flexible 6,6'-dithiodinicotinate linker
• Authors of publication: Chun-Sen Liu; Xiao-Gang Yang; Min Hu; Miao Du; Shao-Ming Fang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7459
• a: 21.9332 ± 0.0002 Å
• b: 21.9332 ± 0.0002 Å
• c: 21.9332 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10551.3 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No