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Information card for entry 7047677
Preview
| Coordinates | 7047677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [(phen)2Ru(dmbp)]Cl2 |
|---|---|
| Formula | C38 H33 Cl2 N7 O3 Ru |
| Calculated formula | C38 H33 Cl2 N7 O3 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 | 10.1716 ± 0.0004 Å |
| b | 20.3819 ± 0.0009 Å |
| c | 16.9731 ± 0.0007 Å |
| α | 90° |
| β | 91.121 ± 0.002° |
| γ | 90° |
| Cell volume | 3518.1 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
7047677.cif |
| 229286 | 2019-11-17 | cif/ Updating files of 7047677, 7047678 Original log message: Adding full bibliography for 7047677--7047678.cif. |
7047677.cif |
| 211261 | 2018-10-02 | cif/ Adding structures of 7047677, 7047678 via cif-deposit CGI script. |
7047677.cif |
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Users of the data should acknowledge the original authors of the
structural data.