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Information card for entry 1552350
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Coordinates | 1552350.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BS-A-165 |
---|---|
Formula | C40 H88 Cl2 N4 P4 W2 |
Calculated formula | C40 H88 Cl2 N4 P4 W2 |
Title of publication | Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction |
Authors of publication | Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 23.0363 ± 0.0008 Å |
b | 9.8057 ± 0.0003 Å |
c | 23.3255 ± 0.0008 Å |
α | 90° |
β | 111.35 ± 0.002° |
γ | 90° |
Cell volume | 4907.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0473 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0482 |
Weighted residual factors for all reflections included in the refinement | 0.0518 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1552350.html
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Users of the data should acknowledge the original authors of the
structural data.