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Information card for entry 7029272
Preview
Coordinates | 7029272.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H28 Br2 N2 O4 |
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Calculated formula | C36 H28 Br2 N2 O4 |
SMILES | c1(cc2c3c(ccc4c3c1c1ccc3c5c(cc(c4c15)Br)C(=O)N(C3=O)C1CCCCC1)C(=O)N(C2=O)C1CCCCC1)Br |
Title of publication | Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide. |
Authors of publication | Llewellyn, Ben A.; Slater, Anna G.; Goretzki, Gudrun; Easun, Timothy L.; Sun, Xue-Zhong; Davies, E. Stephen; Argent, Stephen P.; Lewis, William; Beeby, Andrew; George, Michael W.; Champness, Neil R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 1 |
Pages of publication | 85 - 94 |
a | 15.2582 ± 0.0004 Å |
b | 11.821 ± 0.0003 Å |
c | 16.0098 ± 0.0011 Å |
α | 90° |
β | 103.389 ± 0.007° |
γ | 90° |
Cell volume | 2809.2 ± 0.2 Å3 |
Cell temperature | 100.15 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0238 |
Residual factor for significantly intense reflections | 0.0223 |
Weighted residual factors for significantly intense reflections | 0.0547 |
Weighted residual factors for all reflections included in the refinement | 0.0555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.710747 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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