Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015700
Preview
| Coordinates | 7015700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H46 N16 Ni2 O18 |
|---|---|
| Calculated formula | C28 H46 N16 Ni2 O18 |
| SMILES | N(C=[O][Ni]1([n]2c3c4[n]([Ni]([n]3c(nc2Nc2ccccc2)N)([OH]C)([OH]C)([O]=CN(C)C)ON(=O)=O)c(nc([n]14)N)Nc1ccccc1)([OH]C)([OH]C)ON(=O)=O)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold. |
| Authors of publication | Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 5009 - 5017 |
| a | 9.1073 ± 0.0001 Å |
| b | 9.4828 ± 0.0001 Å |
| c | 13.0297 ± 0.0002 Å |
| α | 106.27 ± 0.001° |
| β | 92.707 ± 0.001° |
| γ | 93.283 ± 0.001° |
| Cell volume | 1076.09 ± 0.02 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179861 (current) | 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 7/01/57. |
7015700.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015700.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015700.cif |
| 21324 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015699, 7015700, 7015701, 7015702 via cif-deposit CGI script. |
7015700.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.