Information card for entry 4306072

Structure parameters

• Formula: C40 H54 Co N4 O
• Calculated formula: C40 H54 Co N4 O
• 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: 21.665 ± 0.003 Å
• b: 9.494 ± 0.0012 Å
• c: 18.167 ± 0.003 Å
• α: 90°
• β: 91.618 ± 0.007°
• γ: 90°
• Cell volume: 3735.2 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1437
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No