Information card for entry 7049988

Structure parameters

• Formula: C17 H29 Cl2 Co N7 O5
• Calculated formula: C17 H29 Cl2 Co N7 O5
• Title of publication: Seven coordinate Co(ii) and six coordinate Ni(ii) complexes of an aromatic macrocyclic triamide ligand as paraCEST agents for MRI.
• Authors of publication: Pradhan, Rabindra N.; Chakraborty, Subhayan; Bharti, Pratibha; Kumar, Janesh; Ghosh, Arindam; Singh, Akhilesh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8899 - 8910
• a: 9.0833 ± 0.0013 Å
• b: 9.9973 ± 0.0015 Å
• c: 14.468 ± 0.002 Å
• α: 103.039 ± 0.007°
• β: 93.097 ± 0.007°
• γ: 97.532 ± 0.006°
• Cell volume: 1264.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.3153
• Weighted residual factors for all reflections included in the refinement: 0.3545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No