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Information card for entry 7035976
Preview
| Coordinates | 7035976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Hf |
|---|---|
| Formula | C86 H88 Hf N4 O6 |
| Calculated formula | C86 H88 Hf N4 O6 |
| SMILES | c12c(cc(cc1CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1)C)C[N]13CCC[C@H]1C(O[Hf]143([N]3(Cc5c(c(cc(c5)C)CN5CCC[C@H]5C(O)(c5ccccc5)c5ccccc5)O1)CCC[C@H]3C(O4)(c1ccccc1)c1ccccc1)O2)(c1ccccc1)c1ccccc1 |
| Title of publication | Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone. |
| Authors of publication | Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 37 |
| Pages of publication | 16280 - 16293 |
| a | 17.1654 ± 0.0006 Å |
| b | 20.7645 ± 0.0006 Å |
| c | 25.2494 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8999.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 5 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7035976.cif |
| 161612 | 2015-10-09 | cif/ Updating files of 7035976, 7035977, 7035978 Original log message: Adding full bibliography for 7035976--7035978.cif. |
7035976.cif |
| 152607 | 2015-07-29 | cif/ Adding structures of 7035976, 7035977, 7035978 via cif-deposit CGI script. |
7035976.cif |
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