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Information card for entry 4308537
Preview
| Coordinates | 4308537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H72 N2 O29 Zn2 |
|---|---|
| Calculated formula | C54 H70 N2 O29 Zn2 |
| Title of publication | An Infinite Water Chain Passes through an Array of Zn(II) Metallocycles Built with a Podand Bearing Terminal Carboxylates |
| Authors of publication | Subhadip Neogi; Parimal K. Bharadwaj |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 816 - 818 |
| a | 11.003 ± 0.005 Å |
| b | 12.974 ± 0.005 Å |
| c | 22.041 ± 0.005 Å |
| α | 89.721 ± 0.005° |
| β | 81.283 ± 0.005° |
| γ | 70.265 ± 0.005° |
| Cell volume | 2923.8 ± 1.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1046 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71069 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
structural data.