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Information card for entry 7035861
Preview
| Coordinates | 7035861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H32 N2 O8 |
|---|---|
| Calculated formula | C34 H32 N2 O8 |
| SMILES | OC(=O)c1ccc(cc1)CN(Cc1ccc(cc1)C(=O)O)CCN(Cc1ccc(cc1)C(=O)O)Cc1ccc(cc1)C(=O)O |
| Title of publication | Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies. |
| Authors of publication | Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 40 |
| Pages of publication | 17494 - 17507 |
| a | 6.888 ± 0.0014 Å |
| b | 9.516 ± 0.0019 Å |
| c | 22.333 ± 0.005 Å |
| α | 91.24 ± 0.03° |
| β | 94.48 ± 0.03° |
| γ | 94.64 ± 0.03° |
| Cell volume | 1454 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7035861.cif |
| 161963 | 2015-10-09 | cif/ Updating files of 7035861, 7035862, 7035863, 7035864, 7035865 Original log message: Adding full bibliography for 7035861--7035865.cif. |
7035861.cif |
| 152283 | 2015-07-18 | cif/ Adding structures of 7035861, 7035862, 7035863, 7035864, 7035865 via cif-deposit CGI script. |
7035861.cif |
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Users of the data should acknowledge the original authors of the
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