Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070792
Preview
Coordinates | 4070792.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H53 N3 O2 Si2 Yb |
---|---|
Calculated formula | C27 H53 N3 O2 Si2 Yb |
SMILES | C12=CC=CC=CC1=[N](C(C)C)[Yb](N2C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction |
Authors of publication | Datta, Simmi; Gamer, Michael T.; Roesky, Peter W. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 6 |
Pages of publication | 1207 |
a | 9.981 ± 0.0005 Å |
b | 14.7544 ± 0.0011 Å |
c | 11.2266 ± 0.0007 Å |
α | 90° |
β | 96.299 ± 0.005° |
γ | 90° |
Cell volume | 1643.29 ± 0.18 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for significantly intense reflections | 0.1638 |
Weighted residual factors for all reflections included in the refinement | 0.168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178596 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07. |
4070792.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070792.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070792.cif |
42703 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070788, 4070789, 4070790, 4070791, 4070792 via cif-deposit CGI script. |
4070792.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.