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Information card for entry 2242740
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| Coordinates | 2242740.cif |
|---|---|
| Structure factors | 2242740.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(μ-1-amidinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropylguanidinato-κ^5^<i>N</i>^1^:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^,<i>N</i>^4^)dipotassium]-μ-1,2-dimethoxyethane-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C32 H68 K2 N8 O2 |
| Calculated formula | C32 H68 K2 N8 O2 |
| SMILES | [K]1234[N]5(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]1(C(C)C)[K]512([N]3(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]14C(C)C)[O](C)CC[O](C)[K]1234([N]5(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]1(C(C)C)[K]512[N]3(C(C)C)C(N(C=[N]2C(C)C)C(C)C)=[N]14C(C)C)[O](C)CCOC |
| Title of publication | Formation and structural characterization of a potassium amidinoguanidinate |
| Authors of publication | Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1795 - 1799 |
| a | 10.3207 ± 0.0006 Å |
| b | 10.5311 ± 0.0006 Å |
| c | 11.6703 ± 0.0007 Å |
| α | 71.605 ± 0.004° |
| β | 64.168 ± 0.004° |
| γ | 63.516 ± 0.004° |
| Cell volume | 1010.23 ± 0.11 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.0602 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223448 (current) | 2019-11-07 | cif/2 Fixing Z values and formulae |
2242740.cif 2242740.hkl |
| 212033 | 2018-11-17 | cif/ hkl/ Adding structures of 2242740 via cif-deposit CGI script. |
2242740.cif 2242740.hkl |
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Users of the data should acknowledge the original authors of the
structural data.