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Information card for entry 4128113
Preview
| Coordinates | 4128113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H46 Ca Co N6 O17 |
|---|---|
| Calculated formula | C29 H46 Ca Co N6 O17 |
| Title of publication | Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe. |
| Authors of publication | Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 17 |
| Pages of publication | 7163 - 7172 |
| a | 10.7639 ± 0.0007 Å |
| b | 21.7165 ± 0.0014 Å |
| c | 31.819 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7437.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.11 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1447 |
| Residual factor for significantly intense reflections | 0.135 |
| Weighted residual factors for significantly intense reflections | 0.284 |
| Weighted residual factors for all reflections included in the refinement | 0.288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221243 (current) | 2019-11-03 | cif/ Adding structures of 4128113 via cif-deposit CGI script. |
4128113.cif |
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Users of the data should acknowledge the original authors of the
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