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Information card for entry 7049988
Preview
Coordinates | 7049988.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H29 Cl2 Co N7 O5 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7049988.html
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Users of the data should acknowledge the original authors of the
structural data.