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Information card for entry 4319169
Preview
| Coordinates | 4319169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H56 Al N4 Na O9 S2 |
|---|---|
| Calculated formula | C26 H56 Al N4 Na O9 S2 |
| SMILES | S12(=[O][Na]3456([O]=1)[O]1CC[O]5CC[O]6CC[O]3CC[O]4CC1)N(C(C)(C)C)[Al]1(N(C(C)(C)C)S(=O)(=O)N1C(C)(C)C)N2C(C)(C)C |
| Title of publication | Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2 |
| Authors of publication | Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 384 - 388 |
| a | 16.031 ± 0.002 Å |
| b | 9.9074 ± 0.0014 Å |
| c | 23.963 ± 0.004 Å |
| α | 90° |
| β | 103.326 ± 0.002° |
| γ | 90° |
| Cell volume | 3703.5 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1575 |
| Weighted residual factors for all reflections included in the refinement | 0.1714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179271 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/91. |
4319169.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319169.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319169.cif |
| 15901 | 2011-03-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4319169 via cif-deposit CGI script. |
4319169.cif |
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