Information card for entry 4306071

Structure parameters

• Formula: C38 H50 Co N4 O
• Calculated formula: C38 H50 Co N4 O
• SMILES: C1CCC[O]1[Co]12(n3cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)n1cccc1C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Structure and Magnetic Behavior of Five-Coordinate Bis(iminopyrrolyl) Complexes of Cobalt(II) containing PMe3 and THF Ligands
• Authors of publication: Sónia A. Carabineiro; Ronan M. Bellabarba; Pedro T. Gomes; Sofia I. Pascu; Luís F. Veiros; Cristina Freire; Laura C. J. Pereira; Rui T. Henriques; M. Conceição Oliveira; John E. Warren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8896 - 8911
• a: 11.6637 ± 0.0011 Å
• b: 21.386 ± 0.002 Å
• c: 14.1464 ± 0.0013 Å
• α: 90°
• β: 93.385 ± 0.001°
• γ: 90°
• Cell volume: 3522.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0952
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0392
• Diffraction radiation wavelength: 0.6709 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No