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Information card for entry 4108483
Preview
Coordinates | 4108483.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H13 Cl Ir N3 O2 |
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Calculated formula | C13 H13 Cl Ir N3 O2 |
SMILES | c1(c(c2ccccc2)[n+](C)nn1CC)[Ir](C#[O])(C#[O])Cl |
Title of publication | 1,2,3-Triazolylidenes as Versatile Abnormal Carbene Ligands for Late Transition Metals |
Authors of publication | Paulson Mathew; Antonia Neels; Martin Albrecht |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13534 - 13535 |
a | 8.1315 ± 0.0006 Å |
b | 9.9636 ± 0.0008 Å |
c | 10.5002 ± 0.0008 Å |
α | 94.53 ± 0.006° |
β | 107.141 ± 0.006° |
γ | 109.506 ± 0.006° |
Cell volume | 751.27 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0447 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108483.html
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