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Information card for entry 7017279
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Coordinates | 7017279.cif |
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Original paper (by DOI) | HTML |
Chemical name | PC-7-3-Iacac 2-(4-iodophenyl)-2,4-pentanedione |
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Formula | C11 H11 I O2 |
Calculated formula | C11 H11 I O2 |
Title of publication | Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes. |
Authors of publication | Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12160 - 12168 |
a | 21.0708 ± 0.0012 Å |
b | 6.9034 ± 0.0004 Å |
c | 7.3624 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1070.94 ± 0.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0209 |
Residual factor for significantly intense reflections | 0.0186 |
Weighted residual factors for significantly intense reflections | 0.0467 |
Weighted residual factors for all reflections included in the refinement | 0.0478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7017279.html
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