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Information card for entry 7035977
Preview
Coordinates | 7035977.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Zr |
---|---|
Formula | C86 H88 N4 O6 Zr |
Calculated formula | C86 H88 N4 O6 Zr |
SMILES | C1CC[C@@H](C(c2ccccc2)(O)c2ccccc2)N1Cc1cc(cc2c1O[Zr]134([N]5(Cc6cc(cc(CN7CCC[C@H]7C(c7ccccc7)(O)c7ccccc7)c6O1)C)CCC[C@H]5C(O4)(c1ccccc1)c1ccccc1)[N]1(C2)CCC[C@H]1C(O3)(c1ccccc1)c1ccccc1)C |
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 | 16.9781 ± 0.0012 Å |
b | 20.6006 ± 0.001 Å |
c | 24.9765 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8735.8 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0642 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1118 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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