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Information card for entry 7124992
Preview
| Coordinates | 7124992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | gc_ba1508 |
|---|---|
| Formula | C24 H24 B2 Br4 Fe N6 O6 |
| Calculated formula | C24 H24 B2 Br4 Fe N6 O6 |
| Title of publication | Large heterometallic coordination cages with gyrobifastigium-like geometry. |
| Authors of publication | Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 75 |
| Pages of publication | 11243 - 11246 |
| a | 14.7088 ± 0.0004 Å |
| b | 12.8848 ± 0.0003 Å |
| c | 18.6454 ± 0.0006 Å |
| α | 90° |
| β | 102.859 ± 0.003° |
| γ | 90° |
| Cell volume | 3445.05 ± 0.17 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7124992.cif |
| 234412 | 2019-11-23 | cif/ Adding structures of 7124989, 7124990, 7124991, 7124992, 7124993 via cif-deposit CGI script. |
7124992.cif |
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Users of the data should acknowledge the original authors of the
structural data.