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Information card for entry 1550934
Preview
Coordinates | 1550934.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H48 Cl2 Ir2 N4 O4 Si4 |
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Calculated formula | C32 H48 Cl2 Ir2 N4 O4 Si4 |
SMILES | [Ir]123([Cl][Ir]45([Cl]1)([Si](Oc1[n]4ccc(c1)C)(C)C)[Si](Oc1[n]5ccc(c1)C)(C)C)([Si](Oc1[n]2ccc(c1)C)(C)C)[Si](Oc1[n]3ccc(c1)C)(C)C |
Title of publication | Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2 |
Authors of publication | Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2019 |
a | 17.8492 ± 0.0009 Å |
b | 10.6328 ± 0.0006 Å |
c | 43.5137 ± 0.0019 Å |
α | 90° |
β | 96.227 ± 0.002° |
γ | 90° |
Cell volume | 8209.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550934.html
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Users of the data should acknowledge the original authors of the
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