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Information card for entry 1552201
Preview
Coordinates | 1552201.cif |
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Original paper (by DOI) | HTML |
Chemical name | [5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((4-(tert-butyl)phenyl)ethynyl)porphyrinato]zinc(II) |
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Formula | C72 H76 N4 O2 Zn |
Calculated formula | C72 H76 N4 O2 Zn |
Title of publication | Unravelling the conductance path through single-porphyrin junctions |
Authors of publication | El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 14.3919 ± 0.0007 Å |
b | 15.0704 ± 0.0007 Å |
c | 15.2655 ± 0.0008 Å |
α | 96.327 ± 0.002° |
β | 113.1 ± 0.002° |
γ | 102.726 ± 0.002° |
Cell volume | 2898.5 ± 0.3 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 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 | 0.067 |
Residual factor for significantly intense reflections | 0.0625 |
Weighted residual factors for significantly intense reflections | 0.1869 |
Weighted residual factors for all reflections included in the refinement | 0.1997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1552201.html
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