Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029451
Preview
| Coordinates | 7029451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C102 H138 N4 Ni2 O9 |
|---|---|
| Calculated formula | C102 H138 N4 Ni2 O9 |
| Title of publication | Spontaneous helical folding of bis(Ni-salphen) complexes in solution and in the solid state: spectroscopic tracking of the unfolding process induced by Na(+) ions. |
| Authors of publication | Achira, Hiroto; Ito, Muneyuki; Mutai, Toshiki; Yoshikawa, Isao; Araki, Koji; Houjou, Hirohiko |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 15 |
| Pages of publication | 5899 - 5907 |
| a | 13.544 ± 0.007 Å |
| b | 19.397 ± 0.007 Å |
| c | 20.246 ± 0.01 Å |
| α | 64.07 ± 0.02° |
| β | 79.02 ± 0.03° |
| γ | 72.67 ± 0.03° |
| Cell volume | 4555 ± 4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.1541 |
| Residual factor for significantly intense reflections | 0.0961 |
| Weighted residual factors for significantly intense reflections | 0.1962 |
| Weighted residual factors for all reflections included in the refinement | 0.2446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029451.cif |
| 180000 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94. |
7029451.cif |
| 108305 | 2014-03-30 | cif/ Adding structures of 7029451 via cif-deposit CGI script. |
7029451.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.