Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106948
Preview
| Coordinates | 4106948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H36 Ir N O23 P2 Ru6 |
|---|---|
| Calculated formula | C65 H36 Ir N O23 P2 Ru6 |
| SMILES | [Ir]12345([Ru]67([Ru]1([Ru]12([Ru]3([Ru]24([Ru]56(C2=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C1=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C7=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1 |
| Title of publication | Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities |
| Authors of publication | Richard D. Adams; Qiang Zhang; Xinzheng Yang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 15950 - 15953 |
| a | 10.111 ± 0.0003 Å |
| b | 17.9859 ± 0.0006 Å |
| c | 21.638 ± 0.0007 Å |
| α | 66.504 ± 0.001° |
| β | 77.043 ± 0.001° |
| γ | 85.474 ± 0.001° |
| Cell volume | 3516.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0853 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178815 (current) | 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 4/10/69. |
4106948.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106948.cif |
| 54462 | 2012-04-26 | cif/ Adding structures of 4106948 via cif-deposit CGI script. |
4106948.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.