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Information card for entry 4078163
Preview
Coordinates | 4078163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H26 Cl F6 Ir N P Se |
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Calculated formula | C22 H26 Cl F6 Ir N P Se |
SMILES | [Ir]12345([Se](Cc6[n]1cccc6)c1ccccc1)([c]1([c]2([c]4([c]3([c]51C)C)C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines |
Authors of publication | Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3379 |
a | 23.319 ± 0.004 Å |
b | 8.6267 ± 0.0013 Å |
c | 25.61 ± 0.004 Å |
α | 90° |
β | 94.343 ± 0.003° |
γ | 90° |
Cell volume | 5137.1 ± 1.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0546 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/4078163.html
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