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Information card for entry 4111510
Preview
Coordinates | 4111510.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H52 Cl Ir N4 |
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Calculated formula | C34 H52 Cl Ir N4 |
SMILES | [IrH]1(Cl)(=C2N(C=CN2C(C)(C)C)C(C1)(C)C)=C1N(C=CN1C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1 |
Title of publication | Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes |
Authors of publication | Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 3516 - 3526 |
a | 16.3166 ± 0.001 Å |
b | 9.4045 ± 0.0006 Å |
c | 22.7153 ± 0.0014 Å |
α | 90° |
β | 100.553 ± 0.001° |
γ | 90° |
Cell volume | 3426.7 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0298 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0605 |
Weighted residual factors for all reflections included in the refinement | 0.061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
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/4111510.html
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