Information card for entry 2013279

Structure parameters

• Chemical name: di-μ-sulfato-κ^2^O:O'-bis[(2,2':6',2''-terpyridine- κ^3^N^1^,N^1'^,N^1''^)zinc(II)] dihydrate
• Formula: C30 H26 N6 O10 S2 Zn2
• Calculated formula: C30 H26 N6 O10 S2 Zn2
• SMILES: c1cccc2c3cccc4[n]3[Zn]3([n]12)([n]1c4cccc1)OS(=O)(=O)O[Zn]12([n]4ccccc4c4cccc([n]24)c2[n]1cccc2)OS(=O)(=O)O3.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: 9.7 ± 0.002 Å
• b: 9.755 ± 0.002 Å
• c: 10.324 ± 0.002 Å
• α: 110.34 ± 0.02°
• β: 116.59 ± 0.02°
• γ: 98.83 ± 0.02°
• Cell volume: 761.4 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes