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Information card for entry 4318418
Preview
| Coordinates | 4318418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C24 H11 Cl8 Cr N3 O4 |
|---|---|
| Calculated formula | C24 H11 Cl8 Cr N3 O4 |
| SMILES | [Cr]123(Oc4c(Cl)c(Cl)c(Cl)c(Cl)c4O1)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2)[n]1ccccc1c1[n]3cccc1.N#CC |
| Title of publication | Synthesis and Ligand-Based Mixed Valency of cis- and trans-CrIII(X4SQ)(X4Cat)(L)n (X = Cl and Br,n= 1 or 2) Complexes: Effects of Solvent Media on Intramolecular Charge Distribution and Ligand Dissociation of CrIII(X4SQ)3 |
| Authors of publication | Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4444 - 4452 |
| a | 8.629 ± 0.002 Å |
| b | 13.739 ± 0.002 Å |
| c | 14.714 ± 0.003 Å |
| α | 115.71 ± 0.01° |
| β | 95.706 ± 0.003° |
| γ | 92.154 ± 0.004° |
| Cell volume | 1557.6 ± 0.5 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4318418.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4318418.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4318418.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318418.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318418.cif |
| 15131 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318418 via cif-deposit CGI script. |
4318418.cif |
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