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Information card for entry 4081104
Preview
Coordinates | 4081104.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H56 P4 |
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Calculated formula | C64 H56 P4 |
SMILES | P(Cc1ccccc1P(c1ccccc1)c1ccccc1)(Cc1ccccc1P(c1ccccc1)c1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1.c1(ccccc1)C |
Title of publication | Reductive Elimination at an Ortho-Metalated Iridium(III) Hydride Bearing a Tripodal Tetraphosphorus Ligand |
Authors of publication | Gloaguen, Yann; Jongens, Lianne M.; Reek, Joost N. H.; Lutz, Martin; de Bruin, Bas; van der Vlugt, Jarl Ivar |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4284 |
a | 11.3975 ± 0.0003 Å |
b | 12.4827 ± 0.0003 Å |
c | 19.9754 ± 0.0005 Å |
α | 102.55 ± 0.001° |
β | 105.307 ± 0.001° |
γ | 98.8375 ± 0.0011° |
Cell volume | 2607.56 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4081104.html
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Users of the data should acknowledge the original authors of the
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