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Information card for entry 4027061
Preview
| Coordinates | 4027061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H15 Cl8 Ir O5 Sn3 |
|---|---|
| Calculated formula | C10 H15 Cl8 Ir O5 Sn3 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ir]2345([Sn](Cl)(Cl)(O)O)([Sn](Cl)(Cl)Cl)[Sn](Cl)(Cl)Cl)C)C)C)C.O.O.O |
| Title of publication | A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions |
| Authors of publication | Arnab Kumar Maity; Sujit Roy |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 2935 - 2941 |
| a | 9.5026 ± 0.0004 Å |
| b | 34.1358 ± 0.0013 Å |
| c | 9.7418 ± 0.0004 Å |
| α | 90° |
| β | 116.922 ± 0.0009° |
| γ | 90° |
| Cell volume | 2817.6 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1484 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.299 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4027061.cif |
| 178449 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70. |
4027061.cif |
| 81129 | 2013-04-14 | cif/ Adding structures of 4027061 via cif-deposit CGI script. |
4027061.cif |
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Users of the data should acknowledge the original authors of the
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