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Information card for entry 4102544
Preview
Coordinates | 4102544.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | JK_009 |
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Formula | C19 H32 Cl2 Ir N2 P |
Calculated formula | C19 H32 Cl2 Ir N2 P |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ir]2345([P](C(C)C)(C(C)C)c1[nH]ccn1)(Cl)Cl)C)C)C)C |
Title of publication | Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group |
Authors of publication | Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 7919 - 7934 |
a | 14.682 ± 0.0012 Å |
b | 9.297 ± 0.0007 Å |
c | 31.39 ± 0.003 Å |
α | 90° |
β | 94.991 ± 0.001° |
γ | 90° |
Cell volume | 4268.4 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0229 |
Residual factor for significantly intense reflections | 0.0206 |
Weighted residual factors for significantly intense reflections | 0.0474 |
Weighted residual factors for all reflections included in the refinement | 0.0483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71069 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/4102544.html
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Users of the data should acknowledge the original authors of the
structural data.