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Information card for entry 7031799
Preview
| Coordinates | 7031799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H25 Br N4 O2 |
|---|---|
| Calculated formula | C27 H21 Br N4 O2 |
| Title of publication | Carbene based photochemical molecular assemblies for solar driven hydrogen generation. |
| Authors of publication | Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 13683 - 13695 |
| a | 13.9804 ± 0.0008 Å |
| b | 14.0396 ± 0.0006 Å |
| c | 14.3866 ± 0.0009 Å |
| α | 65.191 ± 0.002° |
| β | 74.784 ± 0.003° |
| γ | 72.977 ± 0.003° |
| Cell volume | 2419 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1632 |
| Residual factor for significantly intense reflections | 0.0919 |
| Weighted residual factors for significantly intense reflections | 0.2356 |
| Weighted residual factors for all reflections included in the refinement | 0.2818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031799.cif |
| 123456 | 2014-09-08 | cif/ Updating files of 7031797, 7031798, 7031799, 7031800, 7031801, 7031802, 7031803 Original log message: Adding full bibliography for 7031797--7031803.cif. |
7031799.cif |
| 120921 | 2014-07-30 | cif/ Adding structures of 7031797, 7031798, 7031799, 7031800, 7031801, 7031802, 7031803 via cif-deposit CGI script. |
7031799.cif |
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Users of the data should acknowledge the original authors of the
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