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Information card for entry 7015857
Preview
| Coordinates | 7015857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cr4(tmp)2Cl6(Et-iac)2].2MeCN |
|---|---|
| Formula | C24 H46 Cl6 Cr4 N8 O6 |
| Calculated formula | C24 H46 Cl6 Cr4 N8 O6 |
| SMILES | C1[O]2[Cr]34([O]5CC1(C[O]16[Cr]78([NH]=C(C)NC(=[NH]7)C)([O]7CC9(C[O]8[Cr]26([O]4(C9)[Cr]517(Cl)Cl)(Cl)Cl)CC)Cl)CC)(Cl)[NH]=C(C)NC(=[NH]3)C.N#CC.N#CC |
| Title of publication | Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters. |
| Authors of publication | Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 19 |
| Pages of publication | 5278 - 5284 |
| a | 10.2643 ± 0.0009 Å |
| b | 10.27 ± 0.0013 Å |
| c | 10.6796 ± 0.001 Å |
| α | 62.341 ± 0.011° |
| β | 84.353 ± 0.007° |
| γ | 71.591 ± 0.009° |
| Cell volume | 944.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 all reflections | 0.0941 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.855 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179862 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015857.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015857.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015857.cif |
| 21367 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015853, 7015854, 7015855, 7015856, 7015857, 7015858, 7015859 via cif-deposit CGI script. |
7015857.cif |
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Users of the data should acknowledge the original authors of the
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