Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088875
Preview
Coordinates | 4088875.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H59 I4 La Li2 N2 O4 |
---|---|
Calculated formula | C37 H59 I4 La Li2 N2 O4 |
SMILES | [La]123([I][Li]([I]1)([O]1CCCC1)[O]1CCCC1)([I][Li]([I]2)([O]1CCCC1)[O]1CCCC1)[N](=C(N3[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1 |
Title of publication | Enantiopure Amidinate Complexes of the Rare-Earth Elements |
Authors of publication | Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 20 |
Pages of publication | 3474 |
a | 11.3332 ± 0.0001 Å |
b | 11.4658 ± 0.0002 Å |
c | 36.061 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4685.92 ± 0.11 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.13 |
Weighted residual factors for all reflections included in the refinement | 0.1397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
237868 (current) | 2019-11-24 | cif/ Adding structures of 4088875, 4088876, 4088877, 4088878, 4088879, 4088880, 4088881, 4088882, 4088883, 4088884, 4088885 via cif-deposit CGI script. |
4088875.cif |
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.