Information card for entry 8102414

Structure parameters

• Chemical name: bis(salicylato)(neocuproin)cadmium(II)
• Formula: C28 H22 Cd N2 O6
• Calculated formula: C28 H22 Cd N2 O6
• SMILES: [Cd]123([O]=C(O1)c1c(O)cccc1)([O]=C(O2)c1c(O)cccc1)[n]1c(ccc2ccc4ccc([n]3c4c12)C)C
• Title of publication: Crystal structure of bis(salicylato)(neocuproin)cadmium(II), Cd(C7H5O3)2(C14H12N2)
• Authors of publication: Pascale Lemoine; Dung Nguyen-Huy; Bernard Viossat
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 143
• a: 11.505 ± 0.004 Å
• b: 16.787 ± 0.007 Å
• c: 13.457 ± 0.004 Å
• α: 90°
• β: 106.69 ± 0.02°
• γ: 90°
• Cell volume: 2489.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No