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Information card for entry 4306827
Preview
Coordinates | 4306827.cif |
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Original paper (by DOI) | HTML |
Chemical name | (η^4^-Cyclooctadiene)(<i>N</i>,<i>N</i>-diethyl-<i>N'</i>,<i>N''</i>- diphenylguanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(I) |
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Formula | C25 H32 Ir N3 |
Calculated formula | C25 H32 Ir N3 |
SMILES | [Ir]1234([N](=C(N1c1ccccc1)N(CC)CC)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
Title of publication | Synthesis, Characterization, and O2 Reactivity of Iridium(I) Complexes Supported by Guanidinato Ligands |
Authors of publication | Jan-Uwe Rohde; Matthew R. Kelley; Wei-Tsung Lee |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 11461 - 11463 |
a | 10.2528 ± 0.0011 Å |
b | 17.8077 ± 0.0019 Å |
c | 12.6997 ± 0.0014 Å |
α | 90° |
β | 107.034 ± 0.005° |
γ | 90° |
Cell volume | 2217 ± 0.4 Å3 |
Cell temperature | 209 ± 2 K |
Ambient diffraction temperature | 209 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0371 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0472 |
Weighted residual factors for all reflections included in the refinement | 0.0505 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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