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Information card for entry 7019280
Preview
| Coordinates | 7019280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H53 Cl2 In N2 O2 |
|---|---|
| Calculated formula | C34 H53 Cl2 In N2 O2 |
| SMILES | [C@@H]12CCCC[C@H]1[NH](c1c(cc(cc1C)C)C)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl.O1CCCC1.[C@H]12CCCC[C@@H]1[NH](c1c(cc(cc1C)C)C)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl.O1CCCC1 |
| 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 | 11.4157 ± 0.0003 Å |
| b | 17.5129 ± 0.0004 Å |
| c | 17.1967 ± 0.0004 Å |
| α | 90° |
| β | 104.324 ± 0.001° |
| γ | 90° |
| Cell volume | 3331.12 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179896 (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 7/01/92. |
7019280.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019280.cif |
| 62830 | 2012-07-09 | cif/ Adding structures of 7019278, 7019279, 7019280, 7019281 via cif-deposit CGI script. |
7019280.cif |
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Users of the data should acknowledge the original authors of the
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