Information card for entry 8102654

Structure parameters

• Formula: C20 H14 Cd I2 N4
• Calculated formula: C20 H14 Cd I2 N4
• SMILES: [Cd]12(I)(I)[n]3ccccc3c3[n]1c(cc(c3)c1ncccc1)c1[n]2cccc1
• Title of publication: Crystal structure of diiodo-(4'-(2-pyridyl)-2,2':6',2''-terpyridine)cadmium(II), Cd(C20H14N4)I2
• Authors of publication: Lei Gou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 157
• a: 9.017 ± 0.004 Å
• b: 9.677 ± 0.004 Å
• c: 12.296 ± 0.005 Å
• α: 81.645 ± 0.005°
• β: 81.231 ± 0.005°
• γ: 87.85 ± 0.005°
• Cell volume: 1049 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No