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Information card for entry 4074654
Preview
Coordinates | 4074654.cif |
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Original paper (by DOI) | HTML |
Formula | C16.5 H13 Cl I2 Pt |
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Calculated formula | C16.5 H13 Cl I2 Pt |
SMILES | [Pt]123(I)(I)[CH]4=[CH]1c1ccccc1[CH]2=[CH]3c1ccccc41.ClCCl |
Title of publication | Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues |
Authors of publication | Singh, Anupam; Sharp, Paul R. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 3 |
Pages of publication | 678 |
a | 13.153 ± 0.0012 Å |
b | 16.0334 ± 0.0014 Å |
c | 32.836 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6924.7 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.1061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
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/4074654.html
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Users of the data should acknowledge the original authors of the
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