Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7718301
Preview
Coordinates | 7718301.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [CoCp2][(Briq)2Ir] . 2 C6H6 |
---|---|
Chemical name | Cobaltocenium bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyl-iminoxolene)iridate dibenzene solvate |
Formula | C62 H68 Br4 Co Ir N2 O2 |
Calculated formula | C62 H68 Br4 Co Ir N2 O2 |
Title of publication | Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals. |
Authors of publication | Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2025 |
Journal volume | 54 |
Journal issue | 14 |
Pages of publication | 5896 - 5905 |
a | 13.7924 ± 0.0005 Å |
b | 19.3444 ± 0.0006 Å |
c | 22.2366 ± 0.0008 Å |
α | 90° |
β | 104.27 ± 0.001° |
γ | 90° |
Cell volume | 5749.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0501 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.0631 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300901 (current) | 2025-07-06 | cif/ Updating files of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 Original log message: Adding full bibliography for 7718295--7718301.cif. |
7718301.cif |
298394 | 2025-03-12 | cif/ Adding structures of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 via cif-deposit CGI script. |
7718301.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.