Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7035976.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.