Information card for entry 7009600

Structure parameters

• Formula: C39 H56.4 Cd2 N6 O15.2 S2
• Calculated formula: C39 H51.41 Cd2 N6 O15.215 S2
• Title of publication: Synthesis and characterisation of infinite co-ordination networks from flexible dipyridyl ligands and cadmium salts †
• Authors of publication: Plater, M. John; Foreman, Mark R. St. J.; Gelbrich, Thomas; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3065
• a: 13.8375 ± 0.0007 Å
• b: 15.7403 ± 0.0008 Å
• c: 22.0228 ± 0.0008 Å
• α: 90°
• β: 98.841 ± 0.001°
• γ: 90°
• Cell volume: 4739.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No