Information card for entry 4312459

Structure parameters

• Chemical name: Diiodo-[bis[n-propyl-2-pyridinecarboxylateκ^2^N,O]cadmium(II)
• Formula: C18 H22 Cd I2 N2 O4
• Calculated formula: C18 H22 Cd I2 N2 O4
• SMILES: [Cd]12(I)(I)([n]3ccccc3C(=[O]1)OCCC)[n]1ccccc1C(=[O]2)OCCC
• Title of publication: Reactivity of 2-Pyridinecarboxylic Esters with Cadmium(II) Halides: Study of 113Cd NMR Solid State Spectra and Crystal Structures of Hexacoordinated Complexes [CdI2(C5H4NCOOMe)2] and [CdI2(C5H4NCOOPrn)2]
• Authors of publication: Ricard March; Josefina Pons; Josep Ros; William Clegg; Angel Álvarez-Larena; Joan Francesc Piniella; Jesus Sanz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7403 - 7409
• a: 8.8997 ± 0.0006 Å
• b: 15.3101 ± 0.001 Å
• c: 17.8929 ± 0.0011 Å
• α: 90°
• β: 102.198 ± 0.002°
• γ: 90°
• Cell volume: 2383 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0524
• Goodness-of-fit parameter for all reflections: 1.176
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No