Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079325
Preview
Coordinates | 4079325.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C111 H88 Au4 Ir4 O9 P4 |
---|---|
Calculated formula | C111 H88 Au4 Ir4 O9 P4 |
SMILES | [Ir]12345(C#[O])(C#[O])([Au]6([Au]74([Au]3([Au]567[P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[Ir]345([Ir]61(C3=O)([Ir]24(C5=O)(C6=O)(C#[O])C#[O])(c1ccccc1)C#[O])(c1ccccc1)C#[O].c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Synthesis and Structures of Iridium‒Gold Carbonyl Cluster Compounds Containing Methyl and σ-Aryl Ligands |
Authors of publication | Adams, Richard D.; Chen, Mingwei |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6457 |
a | 13.8353 ± 0.0015 Å |
b | 19.656 ± 0.002 Å |
c | 19.87 ± 0.002 Å |
α | 75.375 ± 0.002° |
β | 74.007 ± 0.002° |
γ | 75.261 ± 0.002° |
Cell volume | 4925.9 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0791 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4079325.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.