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Information card for entry 4000058
Preview
| Coordinates | 4000058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H26 Br2 Cl2 Hg N2 |
|---|---|
| Calculated formula | C32 H26 Br2 Cl2 Hg N2 |
| Title of publication | Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br) |
| Authors of publication | Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2743 - 2745 |
| a | 15.2145 ± 0.0013 Å |
| b | 12.7376 ± 0.0011 Å |
| c | 16.4406 ± 0.0015 Å |
| α | 90° |
| β | 94.706 ± 0.002° |
| γ | 90° |
| Cell volume | 3175.4 ± 0.5 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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