Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070149
Preview
| Coordinates | 4070149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H27 Cl2 N4 O2 Yb |
|---|---|
| Calculated formula | C23 H27 Cl2 N4 O2 Yb |
| SMILES | [Yb]123456789%10([n]%11c(N1C(=O)N(C(NCCCCl)=[O]2)CCCCl)cccc%11)([cH]1[cH]3[cH]4[cH]5[cH]1%10)[cH]1[cH]6[cH]7[cH]8[cH]91 |
| Title of publication | Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands |
| Authors of publication | Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 21 |
| Pages of publication | 6320 |
| a | 15.998 ± 0.005 Å |
| b | 8.945 ± 0.003 Å |
| c | 17.613 ± 0.006 Å |
| α | 90° |
| β | 92.058 ± 0.004° |
| γ | 90° |
| Cell volume | 2518.8 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178590 (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 4/07/01. |
4070149.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070149.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070149.cif |
| 40613 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070145, 4070146, 4070147, 4070148, 4070149, 4070150, 4070151, 4070152, 4070153, 4070154, 4070155, 4070156, 4070157, 4070158, 4070159, 4070160, 4070161, 4070162 via cif-deposit CGI script. |
4070149.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.