Information card for entry 4332171

Structure parameters

• Chemical name: bis{1,3-di(4-methyl-2-pyridylimino)isoindolinato}cadmium(II)
• Formula: C40 H32 Cd N10
• Calculated formula: C40 H32 Cd N10
• SMILES: [Cd]1234([n]5ccc(cc5N=C5N1C(=Nc1[n]2ccc(c1)C)c1c5cccc1)C)[n]1ccc(cc1N=C1N3C(=Nc2[n]4ccc(c2)C)c2c1cccc2)C
• Title of publication: Size Discrimination in the Coordination Chemistry of an Isoindoline Pincer Ligand with Cd(II) and Zn(II)
• Authors of publication: Wicholas, Mark; Garrett, Andrew D.; Gleaves, Morgan; Morris, Aimee M.; Rehm, Melanie; Anderson, Oren P.; la Cour, Agnete
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5804 - 5811
• a: 12.033 ± 0.003 Å
• b: 15.946 ± 0.003 Å
• c: 18.515 ± 0.006 Å
• α: 90°
• β: 93.773 ± 0.006°
• γ: 90°
• Cell volume: 3544.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No