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Information card for entry 4339231
Preview
| Coordinates | 4339231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | methylamino-N,N-bis(2-methylene-4-adamantyl-6-tert-butyl- phenolato) zinc(II) dimer, (4) |
|---|---|
| Formula | C100 H134 N2 O4 Zn2 |
| Calculated formula | C93 H126 N2 O4 Zn2 |
| Title of publication | Structural and mechanistic studies of bis(phenolato)amine zinc(II) catalysts for the polymerization of epsilon-caprolactone. |
| Authors of publication | Silvernail, Carter M.; Yao, Letitia J.; Hill, Lyndal M. R.; Hillmyer, Marc A.; Tolman, William B. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 6565 - 6574 |
| a | 15.6058 ± 0.0011 Å |
| b | 15.9189 ± 0.0012 Å |
| c | 19.5961 ± 0.0014 Å |
| α | 84.4704 ± 0.0013° |
| β | 69.2801 ± 0.0012° |
| γ | 70.5606 ± 0.0012° |
| Cell volume | 4292.5 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179495 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92. |
4339231.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4339231.cif |
| 117217 | 2014-06-14 | cif/ Adding structures of 4339231, 4339232 via cif-deposit CGI script. |
4339231.cif |
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Users of the data should acknowledge the original authors of the
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