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Information card for entry 4069492
Preview
Coordinates | 4069492.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H29 I Ir N5 |
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Calculated formula | C22 H29 I Ir N5 |
SMILES | [IrH]12(=C3N(c4c2c(ccc4)N2C=1N(C=C2)CCCC)C=CN3CCCC)(I)[N]#CC |
Title of publication | Reaction Intermediates in the Synthesis of New Hydrido, N-Heterocyclic Dicarbene Iridium(III) Pincer Complexes |
Authors of publication | Raynal, Matthieu; Pattacini, Roberto; Cazin, Catherine S. J.; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 4028 |
a | 8.9706 ± 0.0002 Å |
b | 12.6229 ± 0.0003 Å |
c | 21.0073 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2378.76 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0579 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation probe | x-ray |
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/4069492.html
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