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Information card for entry 4086725
Preview
Coordinates | 4086725.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H40 Cl Ir N4 |
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Calculated formula | C25 H40 Cl Ir N4 |
SMILES | [IrH]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)=C1NC(=CN1CN1C=5NC(=C1)C(C)(C)C)C(C)(C)C.[Cl-] |
Title of publication | Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes |
Authors of publication | Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 18 |
Pages of publication | 3148 |
a | 25.892 ± 0.003 Å |
b | 25.892 ± 0.003 Å |
c | 27.666 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 18547 ± 4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0791 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
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/4086725.html
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