Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7108651
Preview
| Coordinates | 7108651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H66 Li4 N6 Si4 |
|---|---|
| Calculated formula | C38 H66 Li4 N6 Si4 |
| SMILES | [Li]1[N](=Cc2c3c(n([Li][N]([Li][N](=Cc4c5c(n([Li][N]1([Si](C)(C)C)[Si](C)(C)C)c4)cccc5)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c2)cccc3)C(C)(C)C |
| Title of publication | Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals |
| Authors of publication | Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2012 |
| Journal volume | 48 |
| Journal issue | 98 |
| Pages of publication | 12020 - 12022 |
| a | 9.1116 ± 0.0008 Å |
| b | 11.2374 ± 0.001 Å |
| c | 12.0801 ± 0.0011 Å |
| α | 97.257 ± 0.001° |
| β | 100.059 ± 0.001° |
| γ | 101.907 ± 0.001° |
| Cell volume | 1174.63 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210889 (current) | 2018-09-12 | cif/7/10/86/ Updating bibliography in entries 7108649-7108655. |
7108651.cif |
| 180190 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/86. |
7108651.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7108651.cif |
| 68673 | 2012-11-19 | cif/ Adding structures of 7108649, 7108650, 7108651, 7108652, 7108653, 7108654, 7108655 via cif-deposit CGI script. |
7108651.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.