Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517940
Preview
Coordinates | 1517940.cif |
---|
Formula | C56 H48 Cl3 N6 P3 Re2 |
---|---|
Calculated formula | C55 Cl3 N7 P3 Re2 |
SMILES | [Re]123([Re]4(Cl)([N]1=P(c1ccccc1)(c1c3cccc1)c1ccccc1)([N]2=P(c1ccccc41)(c1ccccc1)c1ccccc1)#N)(Cl)#N.P(=[NH2+])(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.[Cl-] |
Title of publication | Synthesis and crystal structure of [ReNCl(NPPh2C6H4)]2.[Ph3PNH2]Cl.CH3CN, a rhenium organic nitrido phosphoraneiminato complex |
Authors of publication | Nubhar, Dirk; Weller, Frank; Dehnicke, Kurt |
Journal of publication | Zeitschrift fuer Anorganische und Allgemeine Chemie |
Year of publication | 1993 |
Journal volume | 619 |
Pages of publication | 1121 - 1126 |
a | 10.055 ± 0.005 Å |
b | 16.952 ± 0.006 Å |
c | 17.447 ± 0.006 Å |
α | 105.86 ± 0.03° |
β | 101.49 ± 0.03° |
γ | 104.45 ± 0.03° |
Cell volume | 2654 ± 2 Å3 |
Ambient diffraction temperature | 292 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1517940.html
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.