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Information card for entry 7701364
Preview
| Coordinates | 7701364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H70 Cl5 Mn N8 O10 |
|---|---|
| Calculated formula | C66 H70 Cl5 Mn N8 O10 |
| Title of publication | Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour. |
| Authors of publication | Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 23.6584 ± 0.0019 Å |
| b | 26.203 ± 0.002 Å |
| c | 10.5621 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6547.7 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1415 |
| Residual factor for significantly intense reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.2955 |
| Weighted residual factors for all reflections included in the refinement | 0.326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219346 (current) | 2019-10-15 | cif/ Adding structures of 7701363, 7701364, 7701365 via cif-deposit CGI script. |
7701364.cif |
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