Information card for entry 2019113

Structure parameters

• Chemical name: Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>){4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium(II) dihydrate
• Formula: C25 H23 Cd N7 O9
• Calculated formula: C25 H19 Cd N7 O9
• Title of publication: The supramolecular structure of a cadmium complex with the new functionalized terpyridine ligand 4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine (<i>L</i>1): aqua(<i>L</i>1-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)cadmium(II) dihydrate
• Authors of publication: Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 822 - 825
• a: 7.9422 ± 0.0004 Å
• b: 22.0793 ± 0.0011 Å
• c: 15.5923 ± 0.0007 Å
• α: 90°
• β: 96.281 ± 0.004°
• γ: 90°
• Cell volume: 2717.8 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1279
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes