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Information card for entry 1549539
Preview
| Coordinates | 1549539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H40 Cu4 N2 O23 |
|---|---|
| Calculated formula | C29 H40 Cu4 N2 O23 |
| Title of publication | Synthesis, Crystal Structure, Hydrogen Bonding, and Thermal Behavior of a Three-Dimensional CuII-benzene-1,2,4,5-tetracarboxylate Templated by 1,9-Diaminononane |
| Authors of publication | Köferstein, Roberto; Robl, Christian |
| Journal of publication | Zeitschrift für anorganische und allgemeine Chemie |
| Year of publication | 2014 |
| Journal volume | 640 |
| Journal issue | 10 |
| Pages of publication | 1937 |
| a | 10.575 ± 0.002 Å |
| b | 11.66 ± 0.002 Å |
| c | 15.767 ± 0.002 Å |
| α | 106.08 ± 0.01° |
| β | 90.73 ± 0.02° |
| γ | 94.05 ± 0.01° |
| Cell volume | 1862.4 ± 0.5 Å3 |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.045 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296839 (current) | 2024-12-11 | Fixed a typo in a changelog message in entry 1549539. |
1549539.cif |
| 296838 | 2024-12-11 | Corrected the '_atom_site_attached_hydrogens' data item values in entry 1549539 by setting them all to '0' after consulting the original publication. Prior to this change the 'OH1' and 'OH2' atom sites were incorrectly marked as having 1 and 2 attached hydrogen atoms respectively. |
1549539.cif |
| 208310 | 2018-06-13 | cif/ Adding structures of 1549539 via cif-deposit CGI script. |
1549539.cif |
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Users of the data should acknowledge the original authors of the
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