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Information card for entry 4075513
Preview
| Coordinates | 4075513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H134 Li2 Mg2 O8 |
|---|---|
| Calculated formula | C90 H134 Li2 Mg2 O8 |
| SMILES | [Mg]123[O]([Li]([O]2C(=C)c2c(cc(cc2C)C)C)[O](CC)CC)c2c(cc(cc2C(c2cc(cc(c2[O]1[Mg]1([O]2[Li]([O]1c1c(C(c4c2c(cc(c4)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)[O](CC)CC)[O]3C(=C)c1c(cc(cc1C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate |
| Authors of publication | Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4144 |
| a | 23.051 ± 0.002 Å |
| b | 17.2273 ± 0.0016 Å |
| c | 24.441 ± 0.002 Å |
| α | 90° |
| β | 109.371 ± 0.002° |
| γ | 90° |
| Cell volume | 9156.2 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2124 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178644 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55. |
4075513.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075513.cif |
| 49284 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075513 via cif-deposit CGI script. |
4075513.cif |
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