Information card for entry 7216328

Structure parameters

• Common name: (bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, 120K dataset, 12b)
• Chemical name: [bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, 120K dataset, 12b)
• Formula: C12 H14 Cd I2 N2
• Calculated formula: C12 H14 Cd I2 N2
• SMILES: [Cd](I)(I)([n]1cc(ccc1)C)[n]1cc(ccc1)C
• Title of publication: Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands
• Authors of publication: Hu, Chunhua; Li, Qi; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 94
• Pages of publication: 519
• a: 9.5708 ± 0.0015 Å
• b: 15.222 ± 0.002 Å
• c: 11.348 ± 0.0018 Å
• α: 90°
• β: 100.122 ± 0.003°
• γ: 90°
• Cell volume: 1627.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No