Information card for entry 7036715

Structure parameters

• Formula: C13 H28 Co F9 N4 O12 S3
• Calculated formula: C13 H26 Co F9 N4 O12 S3
• Title of publication: Kinetico-mechanistic studies of substitution reactions on cross-bridged cyclen Co(III) complexes with nucleosides and nucleotides.
• Authors of publication: Vázquez, Marta; Font-Bardia, Mercè; Martínez, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18643 - 18655
• a: 9.0812 ± 0.0004 Å
• b: 22.5814 ± 0.0013 Å
• c: 13.334 ± 0.0007 Å
• α: 90°
• β: 95.368 ± 0.002°
• γ: 90°
• Cell volume: 2722.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No