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Information card for entry 7217126
Preview
| Coordinates | 7217126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H27 I4 Mn N6 O2 |
|---|---|
| Calculated formula | C49 H27 I4 Mn N6 O2 |
| Title of publication | The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands |
| Authors of publication | Nandi, Goutam; Goldberg, Israel |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 36 |
| Pages of publication | 8327 |
| a | 8.9158 ± 0.0003 Å |
| b | 11.144 ± 0.0004 Å |
| c | 14.0968 ± 0.0006 Å |
| α | 83.256 ± 0.002° |
| β | 72.321 ± 0.002° |
| γ | 84.057 ± 0.002° |
| Cell volume | 1321.83 ± 0.09 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7217126.cif |
| 180502 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71. |
7217126.cif |
| 123406 | 2014-09-08 | cif/ Updating files of 7217126, 7217127 Original log message: Adding full bibliography for 7217126--7217127.cif. |
7217126.cif |
| 120472 | 2014-07-16 | cif/ Adding structures of 7217126, 7217127 via cif-deposit CGI script. |
7217126.cif |
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Users of the data should acknowledge the original authors of the
structural data.