Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010552
Preview
| Coordinates | 7010552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Complex-2 |
|---|---|
| Formula | C50 H82 Li3 N7 Si6 |
| Calculated formula | C50 H82 Li3 N7 Si6 |
| SMILES | [Si]([N]12=C([N]34([Si](C)(C)C)[Li]51([N]#Cc1ccc(cc1)C)[N]1([Si](C)(C)C)C(=[N]5([Si](C)(C)C)[Li]31[N]([Si](C)(C)C)=C(N3[Si](C)(C)(C)[Li]243)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)(C)(C)C |
| Title of publication | Towards the formation of dimeric and trimeric lithium benzamidinates: characterization of intermediate structures |
| Authors of publication | Lisovskii, Anatoli; Botoshansky, Mark; Eisen, Moris S. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 11 |
| Pages of publication | 1692 |
| a | 13.506 ± 0.002 Å |
| b | 14.668 ± 0.004 Å |
| c | 30.918 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6125 ± 3 Å3 |
| Cell temperature | 220 ± 1 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1155 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010552.cif |
| 179809 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/05. |
7010552.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010552.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010552.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7010552.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010552.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.