Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4074281
Preview
Coordinates | 4074281.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H38 B2 F8 Ir N2 O P |
---|---|
Calculated formula | C21 H38 B2 F8 Ir N2 O P |
SMILES | [Ir]1234([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([N]#CC)[c]5([cH]1[cH]2[cH]3[cH]45)CCOC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand† |
Authors of publication | Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 21 |
Pages of publication | 5131 |
a | 15.259 ± 0.0009 Å |
b | 8.6367 ± 0.0005 Å |
c | 22.3225 ± 0.0013 Å |
α | 90° |
β | 108.006 ± 0.001° |
γ | 90° |
Cell volume | 2797.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0362 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0527 |
Weighted residual factors for all reflections included in the refinement | 0.0545 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
Diffraction radiation wavelength | 0.71073 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/4074281.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.