Information card for entry 7718955

Structure parameters

• Formula: C49 H72 Cl4 Co2 N8 O
• Calculated formula: C49 H72 Cl4 Co2 N8 O
• Title of publication: Macrocyclic transition-metal parashift complexes for MRI at clinical and pre-clinical magnetic fields.
• Authors of publication: Rogers, Nicola J.; Ashok Kumar, Chowan; Alexander, Carlson; Bowdery, Daniel; Pavlovskaya, Galina; Harvey, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 28
• Pages of publication: 11036 - 11046
• a: 10.70786 ± 0.00008 Å
• b: 31.0143 ± 0.0003 Å
• c: 16.12782 ± 0.00014 Å
• α: 90°
• β: 101.618 ± 0.0008°
• γ: 90°
• Cell volume: 5246.26 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No