Information card for entry 2012906

Structure parameters

• Chemical name: Bis(2-pyridylmethanol)bis(saccharinato)cadmium(II)
• Formula: C26 H22 Cd N4 O8 S2
• Calculated formula: C26 H22 Cd N4 O8 S2
• SMILES: [Cd]([n]1ccccc1CO)([n]1ccccc1CO)(OC1=NS(=O)(=O)c2c1cccc2)N1S(=O)(=O)c2c(C1=O)cccc2
• Title of publication: Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands
• Authors of publication: Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m427 - m430
• a: 8.7516 ± 0.0001 Å
• b: 11.4547 ± 0.0001 Å
• c: 13.5442 ± 0.0002 Å
• α: 99.8079 ± 0.0006°
• β: 96.5191 ± 0.0005°
• γ: 95.1327 ± 0.0005°
• Cell volume: 1321.03 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes