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Information card for entry 7031801
Preview
Coordinates | 7031801.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H65 F12 N9 P2 Ru |
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Calculated formula | C58 H65 F12 N9 P2 Ru |
SMILES | [Ru]123([n]4cccc5c6n(cnc6c6ccc[n]1c6c45)Cc1ccccc1)([n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
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 | 38.6452 ± 0.0008 Å |
b | 11.8866 ± 0.0002 Å |
c | 12.7938 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5877 ± 0.2 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1364 |
Weighted residual factors for all reflections included in the refinement | 0.1446 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7031801.html
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