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Information card for entry 7019279
Preview
| Coordinates | 7019279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H47 Cl2 In N2 O |
|---|---|
| Calculated formula | C27 H47 Cl2 In N2 O |
| SMILES | [C@H]12[C@@H](CCCC1)[N](CCC)(CCC)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl.[C@@H]12[C@H](CCCC1)[N](CCC)(CCC)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl |
| Title of publication | Effects of ligand tuning on dinuclear indium catalysts for lactide polymerization. |
| Authors of publication | Osten, Kimberly M.; Yu, Insun; Duffy, Ian R.; Lagaditis, Paraskevi O.; Yu, Joey C.-C.; Wallis, Christopher J.; Mehrkhodavandi, Parisa |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 26 |
| Pages of publication | 8123 - 8134 |
| a | 8.6106 ± 0.001 Å |
| b | 18.028 ± 0.002 Å |
| c | 20.77 ± 0.002 Å |
| α | 112.588 ± 0.005° |
| β | 99.361 ± 0.006° |
| γ | 90.583 ± 0.006° |
| Cell volume | 2927.8 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0318 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189830 (current) | 2017-01-04 | cif/7/01/ (antanas@echidna.ibt.lt) Changing the capitalization of _atom_type_symbol data item values and the values of related data items (e. g. _atom_site_type_symbol), updating the _chemical_formula_sum data item value in entry 7019279. |
7019279.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7019279.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019279.cif |
| 62830 | 2012-07-09 | cif/ Adding structures of 7019278, 7019279, 7019280, 7019281 via cif-deposit CGI script. |
7019279.cif |
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