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Information card for entry 4000429
Preview
| Coordinates | 4000429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (4) Zn7(OMPrc)8(Et)6 |
|---|---|
| Formula | C44 H58 O8 Zn7 |
| Calculated formula | C44 H58 O8 Zn7 |
| SMILES | CC[Zn]12[O]3(CC4CC4)[Zn]4([O]2([Zn]256([O]1([Zn]3([O]24C1CC1)CC)CC1CC1)[O]1(CC2CC2)[Zn]2([O]5(CC3CC3)[Zn]3([O]6([Zn]1([O]23CC1CC1)CC)CC1CC1)CC)CC)CC1CC1)CC |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 11.667 ± 0.002 Å |
| b | 19.309 ± 0.003 Å |
| c | 11.872 ± 0.002 Å |
| α | 90° |
| β | 97.432 ± 0.003° |
| γ | 90° |
| Cell volume | 2652 ± 0.8 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0495 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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