Information card for entry 8103254

Structure parameters

• Formula: C9 H16 Cd O10
• Calculated formula: C9 H16 Cd O10
• Title of publication: Crystal structure of catena-triaqua(5-methoxyisophthalate)cadmium(II) — water (1:2), [Cd(C9H6O5)(H2O)3] • 2H2O
• Authors of publication: Hui-Ju Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 629
• a: 16.133 ± 0.002 Å
• b: 17.828 ± 0.002 Å
• c: 10.2487 ± 0.0014 Å
• α: 90°
• β: 116.65 ± 0.002°
• γ: 90°
• Cell volume: 2634.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No