Information card for entry 1548118

Structure parameters

• Formula: C16 H12 Cd I2 N4 O2
• Calculated formula: C16 H12 Cd I2 N4 O2
• SMILES: I[Cd](I)([N]1C(=O)c2c(NC=1)cccc2)[N]1C(=O)c2ccccc2NC=1
• Title of publication: Building inorganic supramolecular architectures using principles adopted from the organic solid state
• Authors of publication: Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• a: 19.7099 ± 0.0005 Å
• b: 6.8535 ± 0.0002 Å
• c: 13.631 ± 0.0004 Å
• α: 90°
• β: 98.052 ± 0.003°
• γ: 90°
• Cell volume: 1823.15 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No