Information card for entry 4116062

Structure parameters

• Formula: C41 H34 Cl4 Co3 N12
• Calculated formula: C41 H34 Cl4 Co3 N12
• SMILES: [Co]1234([Co]5678[Co](Cl)([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)[n]1c(N8c2[n]4cccc2)cccc1)Cl.C(Cl)Cl
• Title of publication: Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6226 - 6236
• a: 11.176 ± 0.002 Å
• b: 13.92 ± 0.002 Å
• c: 12.74 ± 0.002 Å
• α: 90°
• β: 90.056 ± 0.009°
• γ: 90°
• Cell volume: 1982 ± 0.6 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.0794
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No