Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4318201
Preview
| Coordinates | 4318201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H64 Cd N18 O8 |
|---|---|
| Calculated formula | C48 H64 Cd N18 O8 |
| SMILES | [Cd]([n]1ccc(cc1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([n]1ccc(cc1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([n]1ccc(cc1)C1=N(=O)C(C)(C)C([N]1=O)(C)C)([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)(N=N#N)N=N#N |
| Title of publication | Temperature Dependence of the Crystal Lattice Organization of Coordination Compounds Involving Nitronyl Nitroxide Radicals: A Magnetic and Structural Investigation |
| Authors of publication | Mohammed Fettouhi; Bassam El Ali; Abdel Moneim El-Ghanam; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 3705 - 3712 |
| a | 7.142 ± 0.0003 Å |
| b | 13.4923 ± 0.0006 Å |
| c | 14.1634 ± 0.0007 Å |
| α | 90.824 ± 0.002° |
| β | 101.843 ± 0.002° |
| γ | 94.503 ± 0.002° |
| Cell volume | 1330.99 ± 0.11 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.1164 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179262 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82. |
4318201.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318201.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318201.cif |
| 14500 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4318201 via cif-deposit CGI script. |
4318201.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.