Information card for entry 2008749

Structure parameters

• Chemical name: catena-(2,2' bipyridine-N,N')(μ ~3~ -sulfito O:O:O) cadmium(II), dihydrate.
• Formula: C10 H12 Cd N2 O5 S
• Calculated formula: C10 H12 Cd N2 O5 S
• SMILES: [Cd]123([OH2])([O](S(=O)O4)[Cd]456([OH2])[n]4ccccc4c4[n]5cccc4)([n]4ccccc4c4[n]1cccc4)[O]6S(=O)[O]3[Cd]134([OH2])([n]5ccccc5c5[n]1cccc5)[O]2S(=O)[O]3[Cd]12([OH2])([n]3ccccc3c3[n]1cccc3)[O]4S(=O)O2.O.O.O.O
• Title of publication: Poly[[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-sulfito-<i>O</i>:<i>O</i>:<i>O</i>'] hydrate]
• Authors of publication: Miguel Harvey; Sergio Baggio; Ricardo Baggio; Helena Pardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1278 - 1280
• a: 10.036 ± 0.002 Å
• b: 18.669 ± 0.004 Å
• c: 6.717 ± 0.0013 Å
• α: 90°
• β: 98.62 ± 0.03°
• γ: 90°
• Cell volume: 1244.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No