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Information card for entry 7017278
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Coordinates | 7017278.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | AS-5 2-(4-bromophenyl)-2,4-pentanedione |
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Formula | C11 H11 Br O2 |
Calculated formula | C11 H11 Br 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 | 20.4766 ± 0.0018 Å |
b | 6.807 ± 0.0006 Å |
c | 7.3506 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1024.56 ± 0.15 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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7017278.html
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