Information card for entry 7714458

Structure parameters

• Formula: C15 H24 Co N9 O10.5
• Calculated formula: C15 H24 Co N9 O10.5
• Title of publication: Study of paraCEST response on six-coordinated Co(II) and Ni(II) complexes of a pyridine-tetraamide-based ligand
• Authors of publication: Panda, Suvam Kumar; Rai, Ankit; Singh, Akhilesh Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.863 ± 0.003 Å
• b: 10.865 ± 0.003 Å
• c: 12.144 ± 0.004 Å
• α: 82.801 ± 0.009°
• β: 67.95 ± 0.009°
• γ: 71.802 ± 0.009°
• Cell volume: 1145.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No