Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4320764
Preview
| Coordinates | 4320764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H48 Cl Cu N10 O4 |
|---|---|
| Calculated formula | C24 H48 Cl Cu N10 O4 |
| SMILES | [Cu]123[N](CC[N]1=C1N(CCCN1C)C)(CC[N]2=C1N(CCCN1C)C)CC[N]3=C1N(CCCN1C)C.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands |
| Authors of publication | Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 6964 - 6971 |
| a | 15.122 ± 0.002 Å |
| b | 11.7901 ± 0.0012 Å |
| c | 17.423 ± 0.002 Å |
| α | 90° |
| β | 104.458 ± 0.012° |
| γ | 90° |
| Cell volume | 3008 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320764.cif |
| 179310 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/07. |
4320764.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320764.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320764.cif |
| 18009 | 2011-04-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4320764 via cif-deposit CGI script. |
4320764.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.