Information card for entry 2204432

Structure parameters

• Common name: Bis(acetylsalicylato-κ^2^O,O')diaquacadmium(II)
• Chemical name: bis[2-(acetyloxy)benzoato-κ^2^O,O']diaquacadmium(II)
• Formula: C18 H18 Cd O10
• Calculated formula: C18 H18 Cd O10
• SMILES: [OH2][Cd]12([O]=C(c3c(cccc3)OC(=O)C)O1)([O]=C(c1c(cccc1)OC(=O)C)O2)[OH2]
• Title of publication: Bis(acetylsalicylato-κ^2^<i>O,O</i>')diaquacadmium(II)
• Authors of publication: Vásquez-Árciga, Horacio; Pérez-Benítez, Aarón; Álvarez-Hernández, Alejandro; Bernès, Sylvain; Méndez-Rojas, Miguel Angel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1621 - m1623
• a: 26.006 ± 0.003 Å
• b: 7.3714 ± 0.0006 Å
• c: 10.7541 ± 0.0012 Å
• α: 90°
• β: 106.416 ± 0.008°
• γ: 90°
• Cell volume: 1977.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0218
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes