Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7047678
Preview
| Coordinates | 7047678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [(neo)2Ru(4,4'-dhbp)]Cl2 |
|---|---|
| Formula | C38 H32 Cl2 N6 O2 Ru |
| Calculated formula | C38 H32 Cl2 N6 O2 Ru |
| Title of publication | Sterically demanding methoxy and methyl groups in ruthenium complexes lead to enhanced quantum yields for blue light triggered photodissociation. |
| Authors of publication | Qu, Fengrui; Martinez, Kristina; Arcidiacono, Ashley M.; Park, Seungjo; Zeller, Matthias; Schmehl, Russell H.; Paul, Jared J.; Kim, Yonghyun; Papish, Elizabeth T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 44 |
| Pages of publication | 15685 - 15693 |
| a | 11.3144 ± 0.0006 Å |
| b | 12.0995 ± 0.0006 Å |
| c | 15.7429 ± 0.0008 Å |
| α | 91.563 ± 0.003° |
| β | 97.122 ± 0.003° |
| γ | 107.14 ± 0.002° |
| Cell volume | 2038.94 ± 0.18 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047678.cif |
| 229286 | 2019-11-17 | cif/ Updating files of 7047677, 7047678 Original log message: Adding full bibliography for 7047677--7047678.cif. |
7047678.cif |
| 211261 | 2018-10-02 | cif/ Adding structures of 7047677, 7047678 via cif-deposit CGI script. |
7047678.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.