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Information card for entry 1542980
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| Coordinates | 1542980.cif |
|---|---|
| Structure factors | 1542980.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl |
|---|---|
| Formula | C28 H44 N4 O6 Rb |
| Calculated formula | C28 H44 N4 O6 Rb |
| SMILES | [Rb]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.n1ccc(c2ccncc2)cc1 |
| Title of publication | (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl |
| Authors of publication | Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160505 |
| a | 11.2326 ± 0.0004 Å |
| b | 8.025 ± 0.0003 Å |
| c | 16.3653 ± 0.0007 Å |
| α | 90° |
| β | 91.95 ± 0.003° |
| γ | 90° |
| Cell volume | 1474.34 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542980.cif 1542980.hkl |
| 180632 | 2016-03-31 | cif/ hkl/ Adding structures of 1542980 via cif-deposit CGI script. |
1542980.cif 1542980.hkl |
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Users of the data should acknowledge the original authors of the
structural data.