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Information card for entry 7029723
Preview
| Coordinates | 7029723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H108 Cr I6 N3 O12 |
|---|---|
| Calculated formula | C66 H108 Cr I6 N3 O12 |
| Title of publication | Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks. |
| Authors of publication | Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 19 |
| Pages of publication | 7006 - 7019 |
| a | 24.339 ± 0.001 Å |
| b | 20.262 ± 0.001 Å |
| c | 32.155 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15857.5 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1069 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029723.cif |
| 180003 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/97. |
7029723.cif |
| 111187 | 2014-04-21 | cif/ Updating files of 7029723 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-12899/cifs/7029723.cif. |
7029723.cif |
| 109538 | 2014-04-16 | cif/ Adding structures of 7029721, 7029722, 7029723, 7029724 via cif-deposit CGI script. |
7029723.cif |
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Users of the data should acknowledge the original authors of the
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