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Information card for entry 7244205
Preview
| Coordinates | 7244205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H25 Cl4 Co2 N5 |
|---|---|
| Calculated formula | C10 H25 Cl4 Co2 N5 |
| SMILES | [Co]1234([Cl][Co](Cl)(Cl)Cl)[NH]5CC[NH]1CC[NH]2CC[NH]3CC[NH]4CC5 |
| Title of publication | Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5 |
| Authors of publication | Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1218 - 1236 |
| a | 8.652 ± 0.0008 Å |
| b | 11.9224 ± 0.001 Å |
| c | 18.0909 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1866.1 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0259 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273355 (current) | 2022-03-05 | cif/ Updating files of 7244202, 7244203, 7244204, 7244205, 7244206, 7244207, 7244208, 7244209, 7244210, 7244211, 7244212, 7244213, 7244214, 7244215, 7244216, 7244217 Original log message: Adding full bibliography for 7244202--7244217.cif. |
7244205.cif |
| 272031 | 2022-01-14 | cif/ Adding structures of 7244202, 7244203, 7244204, 7244205, 7244206, 7244207, 7244208, 7244209, 7244210, 7244211, 7244212, 7244213, 7244214, 7244215, 7244216, 7244217 via cif-deposit CGI script. |
7244205.cif |
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