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Information card for entry 7031798
Preview
Coordinates | 7031798.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 N4 O1.5 |
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Calculated formula | C20 H16.5 N4 O1.5 |
SMILES | n1cccc2c3n(cnc3c3cccnc3c12)Cc1ccccc1.O.O |
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 | 11.2481 ± 0.0003 Å |
b | 12.1858 ± 0.0005 Å |
c | 12.4532 ± 0.0006 Å |
α | 79.993 ± 0.002° |
β | 86.406 ± 0.002° |
γ | 85.159 ± 0.002° |
Cell volume | 1672.95 ± 0.12 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1013 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1149 |
Weighted residual factors for all reflections included in the refinement | 0.1337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031798.html
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