Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107919
Preview
| Coordinates | 4107919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H24 Br8 Cl6 F15 Ir N6 |
|---|---|
| Calculated formula | C46 H24 Br8 Cl6 F15 Ir N6 |
| Title of publication | Iridium Corroles |
| Authors of publication | Joshua H. Palmer; Michael W. Day; Aaron D. Wilson; Lawrence M. Henling; Zeev Gross; Harry B. Gray |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 7786 - 7787 |
| a | 10.5456 ± 0.0005 Å |
| b | 12.9293 ± 0.0006 Å |
| c | 21.2776 ± 0.0009 Å |
| α | 81.591 ± 0.003° |
| β | 76.344 ± 0.003° |
| γ | 86.714 ± 0.003° |
| Cell volume | 2788 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.534 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4107919.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4107919.cif |
| 178825 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79. |
4107919.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107919.cif |
| 56245 | 2012-05-09 | cif/ Adding structures of 4107919 via cif-deposit CGI script. |
4107919.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.