Information card for entry 2013278

Structure parameters

• Chemical name: di-μ-sulfato-κ^3^O,O':O''-bis{aqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]cadmium(II)} tetrahydrate
• Formula: C36 H36 Cd2 N12 O14 S2
• Calculated formula: C36 H36 Cd2 N12 O14 S2
• SMILES: [Cd]1234(OS(=[O]1)(=O)O[Cd]156(OS(=[O]6)(=O)O4)([n]4ccccc4c4[n]1c(c1[n]5cccc1)nc(n4)c1ncccc1)[OH2])([OH2])[n]1ccccc1c1[n]2c(c2[n]3cccc2)nc(n1)c1ncccc1.O.O.O.O
• Title of publication: Two new dimeric cadmium(II) and zinc(II) sulfate complexes with 2,4,6-tris(2-pyridyl)-1,3,5-triazine and 2,2:6',2''-terpyridine
• Authors of publication: Miguel Harvey; Sergio Baggio; Silvia Russi; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m171 - m174
• a: 8.87 ± 0.002 Å
• b: 10.64 ± 0.002 Å
• c: 12.685 ± 0.002 Å
• α: 103.36 ± 0.02°
• β: 98.79 ± 0.02°
• γ: 110.45 ± 0.02°
• Cell volume: 1054.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes